BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 51034124 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1 PNDKCRDVVKJPKG-DPDRHGIRSA-N 50422828 CENICRIVIROC::CENICRIVIROC MESYLATE::TAK-652::TBR-652 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50422828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50422828&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11285792 164151703 ZINC28569498 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51034126 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1 PNDKCRDVVKJPKG-DPDRHGIRSA-N 50422828 CENICRIVIROC::CENICRIVIROC MESYLATE::TAK-652::TBR-652 C-C chemokine receptor type 5 3.1 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50422828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50422828&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11285792 164151703 ZINC28569498 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51034128 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1 PNDKCRDVVKJPKG-DPDRHGIRSA-N 50422828 CENICRIVIROC::CENICRIVIROC MESYLATE::TAK-652::TBR-652 C-C chemokine receptor type 5 0.100000 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50422828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50422828&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11285792 164151703 ZINC28569498 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51031950 C1NCC2CNCC12 InChI=1S/C6H12N2/c1-5-2-8-4-6(5)3-7-1/h5-8H,1-4H2 QFCMBRXRVQRSSF-UHFFFAOYSA-N 50306034 CHEMBL4160473 C-C chemokine receptor type 5 7.0 ChEMBL 10.1016/j.ejmech.2018.01.085 10.7270/Q25X2CHH 29425816 Shah, HR; Savjani, JK Nirma University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306034&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226320 104160395 ZINC45388746 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 207253 CCOC(=O)c1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCC2)cc1 InChI=1S/C21H24N2O6S/c1-2-28-21(25)16-5-7-17(8-6-16)22-20(24)15-29-18-9-11-19(12-10-18)30(26,27)23-13-3-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24) SUCVJZXXTIMWSK-UHFFFAOYSA-N 84215 4-[[1-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]ethyl]amino]benzoic acid ethyl ester::4-[[2-(4-pyrrolidinosulfonylphenoxy)acetyl]amino]benzoic acid ethyl ester::4-{2-[4-(Pyrrolidine-1-sulfonyl)-phenoxy]-acetylamino}-benzoic acid ethyl ester::MLS000124088::SMR000124597::cid_1084214::ethyl 4-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanoylamino]benzoate::ethyl 4-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzoate C-C chemokine receptor type 5 188 PubChem 10.7270/Q23B5XSC aid651728 PubChem, PC NMMLSC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=84215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=84215&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 1084214 252659372 ZINC00800579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 207254 CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 InChI=1S/C18H21ClN4O3S/c1-21(27(25,26)16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3 NDKMXYUGRAXKEP-UHFFFAOYSA-N 84321 4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-benzenesulfonamide::4-chloranyl-N-methyl-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide::4-chloro-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-N-methyl-benzenesulfonamide::4-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide::4-chloro-N-methyl-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]benzenesulfonamide::MLS001223395::SMR000613536::cid_3164412 C-C chemokine receptor type 5 7.46 PubChem 10.7270/Q23B5XSC aid651728 PubChem, PC NMMLSC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=84321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=84321&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3164412 252659428 ZINC04512749 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 207255 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1csc(n1)-c1cccnc1 InChI=1S/C18H18N4O3S2/c1-13(23)21-15-4-6-17(7-5-15)27(24,25)20-10-8-16-12-26-18(22-16)14-3-2-9-19-11-14/h2-7,9,11-12,20H,8,10H2,1H3,(H,21,23) NHJSEGLNJNMHFR-UHFFFAOYSA-N 84339 MLS001167316::N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide::N-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]ethanamide::N-[4-[2-[2-(3-pyridinyl)-4-thiazolyl]ethylsulfamoyl]phenyl]acetamide::N-[4-[2-[2-(3-pyridyl)thiazol-4-yl]ethylsulfamoyl]phenyl]acetamide::SMR000806089::cid_16832456 C-C chemokine receptor type 5 19.6 PubChem 10.7270/Q23B5XSC aid651728 PubChem, PC NMMLSC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=84339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=84339&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16832456 252659434 ZINC04166884 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 207256 CCOC(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2)cc1 InChI=1S/C18H17N5O3/c1-2-26-18(25)14-8-10-15(11-9-14)19-16(24)12-23-21-17(20-22-23)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,19,24) VWNALFAWLZSMNH-UHFFFAOYSA-N 84203 4-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]benzoic acid ethyl ester::4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid ethyl ester::MLS000044008::SMR000021419::cid_1267856::ethyl 4-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate::ethyl 4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoate::ethyl 4-{[(5-phenyl-2H-tetrazol-2-yl)acetyl]amino}benzoate C-C chemokine receptor type 5 123 PubChem 10.7270/Q23B5XSC aid651728 PubChem, PC NMMLSC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=84203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=84203&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 1267856 252659360 ZINC01080862 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 304257 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23?,24?,25?,26-/m0/s1 GSNHKUDZZFZSJB-ILVMPNSOSA-N 160935 US10167299, Maraviroc::US9107954, maraviroc C-C chemokine receptor type 5 0.24 US Patent 10.7270/Q27943D1 aid1801287 US9107954 Zhang, Y; Hauser, KF; Selley, DE Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483407 295369650 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 304258 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)cc1 InChI=1S/C64H90F2N10O10/c1-39(2)60-73-72-40(3)76(60)48-32-46-16-17-47(33-48)75(46)29-22-49(71-61(82)43-19-23-62(65,66)24-20-43)42-11-14-45(15-12-42)69-55(80)37-84-35-53(78)67-27-7-5-4-6-8-28-68-54(79)36-85-38-56(81)70-50-21-25-64(83)52-31-44-13-18-51(77)58-57(44)63(64,59(50)86-58)26-30-74(52)34-41-9-10-41/h11-15,18,39,41,43,46-50,52,59,77,83H,4-10,16-17,19-38H2,1-3H3,(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,82)/t46?,47?,48?,49-,50+,52+,59-,63-,64+/m0/s1 BAVVASQPMQMZER-XJSRWQIGSA-N 160931 US9107954, 1 C-C chemokine receptor type 5 239 US Patent 10.7270/Q27943D1 aid1801287 US9107954 Zhang, Y; Hauser, KF; Selley, DE Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 89702731 295369646 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 304259 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(N)=O)cc1 InChI=1S/C33H47F2N7O4/c1-20(2)31-40-39-21(3)42(31)27-16-25-8-9-26(17-27)41(25)15-12-28(38-32(45)23-10-13-33(34,35)14-11-23)22-4-6-24(7-5-22)37-30(44)19-46-18-29(36)43/h4-7,20,23,25-28H,8-19H2,1-3H3,(H2,36,43)(H,37,44)(H,38,45)/t25?,26?,27?,28-/m0/s1 OMUNPLGAVFXFJF-OYGGZRDRSA-N 160932 US9107954, 3 C-C chemokine receptor type 5 151 US Patent 10.7270/Q27943D1 aid1801287 US9107954 Zhang, Y; Hauser, KF; Selley, DE Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160932&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 112500047 295369647 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 304260 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 InChI=1S/C35H52F2N6O3/c1-22(2)32-41-40-23(3)43(32)29-19-27-11-12-28(20-29)42(27)18-15-30(39-33(45)25-13-16-35(36,37)17-14-25)24-7-9-26(10-8-24)38-31(44)21-46-34(4,5)6/h7-10,22,25,27-30H,11-21H2,1-6H3,(H,38,44)(H,39,45)/t27?,28?,29?,30-/m0/s1 UMUYGAZDJCCJOO-IYCLCUOYSA-N 160934 US9107954, 4 C-C chemokine receptor type 5 15.3 US Patent 10.7270/Q27943D1 aid1801287 US9107954 Zhang, Y; Hauser, KF; Selley, DE Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 112500049 295369649 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 304261 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23?,24?,25?,26-/m0/s1 GSNHKUDZZFZSJB-ILVMPNSOSA-N 160935 US10167299, Maraviroc::US9107954, maraviroc C-C chemokine receptor type 5 2.2 US Patent 10.7270/Q27943D1 aid1801288 US9107954 Zhang, Y; Hauser, KF; Selley, DE Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483407 295369650 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 304262 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC2CC2)c56)cc1 InChI=1S/C64H90F2N10O10/c1-39(2)60-73-72-40(3)76(60)48-32-46-16-17-47(33-48)75(46)29-22-49(71-61(82)43-19-23-62(65,66)24-20-43)42-11-14-45(15-12-42)69-55(80)37-84-35-53(78)67-27-7-5-4-6-8-28-68-54(79)36-85-38-56(81)70-50-21-25-64(83)52-31-44-13-18-51(77)58-57(44)63(64,59(50)86-58)26-30-74(52)34-41-9-10-41/h11-15,18,39,41,43,46-50,52,59,77,83H,4-10,16-17,19-38H2,1-3H3,(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,82)/t46?,47?,48?,49-,50+,52+,59-,63-,64+/m0/s1 BAVVASQPMQMZER-XJSRWQIGSA-N 160931 US9107954, 1 C-C chemokine receptor type 5 126 US Patent 10.7270/Q27943D1 aid1801288 US9107954 Zhang, Y; Hauser, KF; Selley, DE Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 89702731 295369646 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 304263 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(N)=O)cc1 InChI=1S/C33H47F2N7O4/c1-20(2)31-40-39-21(3)42(31)27-16-25-8-9-26(17-27)41(25)15-12-28(38-32(45)23-10-13-33(34,35)14-11-23)22-4-6-24(7-5-22)37-30(44)19-46-18-29(36)43/h4-7,20,23,25-28H,8-19H2,1-3H3,(H2,36,43)(H,37,44)(H,38,45)/t25?,26?,27?,28-/m0/s1 OMUNPLGAVFXFJF-OYGGZRDRSA-N 160932 US9107954, 3 C-C chemokine receptor type 5 622 US Patent 10.7270/Q27943D1 aid1801288 US9107954 Zhang, Y; Hauser, KF; Selley, DE Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160932&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 112500047 295369647 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 304264 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 InChI=1S/C35H52F2N6O3/c1-22(2)32-41-40-23(3)43(32)29-19-27-11-12-28(20-29)42(27)18-15-30(39-33(45)25-13-16-35(36,37)17-14-25)24-7-9-26(10-8-24)38-31(44)21-46-34(4,5)6/h7-10,22,25,27-30H,11-21H2,1-6H3,(H,38,44)(H,39,45)/t27?,28?,29?,30-/m0/s1 UMUYGAZDJCCJOO-IYCLCUOYSA-N 160934 US9107954, 4 C-C chemokine receptor type 5 14.2 US Patent 10.7270/Q27943D1 aid1801288 US9107954 Zhang, Y; Hauser, KF; Selley, DE Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=160934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 112500049 295369649 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50014054 O=S(=O)(N1C[C@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C29H32N2O4S2/c32-36(33)22-29(27-13-7-8-14-28(27)36)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)37(34,35)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+/m0/s1 BVANZKRFYXZAHF-AZGAKELHSA-N 50100016 1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1,1-dioxide]::CHEMBL431111 C-C chemokine receptor type 5 170 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100016&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489595 103996832 CHEMBL431111 ZINC29222158 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50014055 O=S1CC2(CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c2ccccc12 InChI=1S/C29H32N2O3S2/c32-35-22-29(27-13-7-8-14-28(27)35)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)36(33,34)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+,35?/m0/s1 IUMHTNIGQVOIEZ-ALIQMBEYSA-N 50105531 1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1-oxide]::1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophenium-3,4'-(hexahydropyridine)]-1-olate::CHEMBL330528 C-C chemokine receptor type 5 26.0 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105531&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489594 104001248 CHEMBL330528 ZINC26661734 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50017855 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H46N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,14-15,28-31,38H,3,8-10,13,16-25H2,(H,36,37)/t29-,30+,31+/m0/s1 WUHUVZJYMLYIBB-OJDZSJEKSA-N 50119343 2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL322603 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119343&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501046 104012561 CHEMBL322603 ZINC26823467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50015720 Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1 InChI=1S/C33H35ClN4O2/c34-28-10-6-9-25(19-28)26(15-18-37-16-13-24(14-17-37)23-7-2-1-3-8-23)22-38-32(39)31(36-33(38)40)20-27-21-35-30-12-5-4-11-29(27)30/h1-12,19,21,24,26,35,39H,13-18,20,22H2,(H,36,40) HZXUXIODKRLTCM-UHFFFAOYSA-N 50106940 (R)-3-[2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-5-(1H-indol-3-ylmethyl)-imidazolidine-2,4-dione::CHEMBL106381 C-C chemokine receptor type 5 25 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931834 104002369 CHEMBL106381 ZINC26833520 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50015722 CCN1C(c2ccccc2C1=O)C(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 InChI=1S/C36H42N4O5/c1-4-22-39(35(42)45-26-27-15-17-30(18-16-27)40(43)44)29-19-23-37(24-20-29)25-21-36(3,28-11-7-6-8-12-28)33-31-13-9-10-14-32(31)34(41)38(33)5-2/h4,6-18,29,33H,1,5,19-26H2,2-3H3 YWKWFKXQGRARAD-UHFFFAOYSA-N 50106944 Allyl-{1-[3-(2-ethyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL107380 C-C chemokine receptor type 5 10.00 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106944&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44335765 104002373 CHEMBL107380 ZINC26840712 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50014721 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccc(cc1)[N+]([O-])=O InChI=1S/C33H42N4O6S/c1-3-21-36(33(38)43-26-27-14-16-31(17-15-27)37(39)40)30-19-23-35(24-20-30)22-18-29(28-10-6-4-7-11-28)25-34(2)44(41,42)32-12-8-5-9-13-32/h4-17,29-30H,3,18-26H2,1-2H3/t29-/m1/s1 MHXBCXIPENANJY-GDLZYMKVSA-N 50104238 CHEMBL421342::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid 4-nitro-benzyl ester C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104238&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483369 104000197 CHEMBL421342 ZINC26501403 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022817 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1cccnc1 InChI=1S/C31H42N4O/c1-2-18-35(29-14-9-17-32-21-29)28-15-19-33(20-16-28)22-27-23-34(31(36)26-12-7-4-8-13-26)24-30(27)25-10-5-3-6-11-25/h2-3,5-6,9-11,14,17,21,26-28,30H,1,4,7-8,12-13,15-16,18-20,22-24H2/t27-,30+/m0/s1 YTDFWQAHEGHFQA-BHBYDHKZSA-N 50123126 ((3S,4S)-3-((4-(allyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone::CHEMBL137206::{(3S,4S)-3-[4-(Allyl-pyridin-3-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 23 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123126&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505873 104015709 CHEMBL137206 ZINC13487343 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022818 FC(F)(F)c1ccc(nc1)N(CC=C)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1 InChI=1S/C32H41F3N4O/c1-2-17-39(30-14-13-27(20-36-30)32(33,34)35)28-15-18-37(19-16-28)21-26-22-38(31(40)25-11-7-4-8-12-25)23-29(26)24-9-5-3-6-10-24/h2-3,5-6,9-10,13-14,20,25-26,28-29H,1,4,7-8,11-12,15-19,21-23H2/t26-,29+/m0/s1 VMXYUCYCVWLMDE-LITSAYRRSA-N 50123128 ((3S,4S)-3-{4-[Allyl-(5-trifluoromethyl-pyridin-2-yl)-amino]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-methanone::CHEMBL137272 C-C chemokine receptor type 5 21 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123128&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44356876 104015711 CHEMBL137272 ZINC27433868 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022821 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1cncnc1 InChI=1S/C30H42FN5O2/c1-2-11-36(27-16-32-21-33-17-27)26-9-12-34(13-10-26)18-24-19-35(29(30(37)38)14-22-5-3-6-22)20-28(24)23-7-4-8-25(31)15-23/h4,7-8,15-17,21-22,24,26,28-29H,2-3,5-6,9-14,18-20H2,1H3,(H,37,38)/t24-,28+,29+/m0/s1 XIUXJGLXQIZUKO-TUMTZTIRSA-N 50123127 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-5-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::CHEMBL335562 C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123127&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357375 104015710 CHEMBL335562 ZINC27435526 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022822 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(n1)C(F)(F)F InChI=1S/C31H41F4N5O2/c1-2-13-40(30-36-12-9-28(37-30)31(33,34)35)25-10-14-38(15-11-25)18-23-19-39(27(29(41)42)16-21-5-3-6-21)20-26(23)22-7-4-8-24(32)17-22/h4,7-9,12,17,21,23,25-27H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,41,42)/t23-,26+,27+/m0/s1 DGKVXHKWDZKIDE-HUROMRQRSA-N 50123141 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[propyl-(4-trifluoromethyl-pyrimidin-2-yl)-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL343745 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123141&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44356952 104015724 CHEMBL343745 ZINC27433075 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022823 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ccccn1 InChI=1S/C32H46N4O2/c1-2-19-36(30-15-9-10-18-33-30)28-16-20-34(21-17-28)22-27-23-35(24-29(27)25-11-5-3-6-12-25)31(32(37)38)26-13-7-4-8-14-26/h3,5-6,9-12,15,18,26-29,31H,2,4,7-8,13-14,16-17,19-24H2,1H3,(H,37,38)/t27-,29+,31+/m0/s1 GRIXLMZYDOACAH-GKFGNYHGSA-N 50123134 (R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL343160 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123134&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505878 104015717 CHEMBL343160 ZINC27434606 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022824 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C31H44FN5O2/c1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23/h6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39)/t25-,28+,29+/m0/s1 FEKRAPQYYVJDCN-RFYMFKDESA-N 50123135 (R)-Cyclohexyl-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL138437 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123135&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505881 104015718 CHEMBL138437 ZINC27431073 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022826 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ncccn1 InChI=1S/C30H41N5O/c1-2-18-35(30-31-16-9-17-32-30)27-14-19-33(20-15-27)21-26-22-34(29(36)25-12-7-4-8-13-25)23-28(26)24-10-5-3-6-11-24/h2-3,5-6,9-11,16-17,25-28H,1,4,7-8,12-15,18-23H2/t26-,28+/m0/s1 PDHAEKCRTLZPTQ-XTEPFMGCSA-N 50123139 ((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone::CHEMBL135432::{(3S,4S)-3-[4-(Allyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 12 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123139&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505875 104015722 CHEMBL135432 ZINC13487345 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022829 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ccncn1 InChI=1S/C30H42FN5O2/c1-2-13-36(29-9-12-32-21-33-29)26-10-14-34(15-11-26)18-24-19-35(28(30(37)38)16-22-5-3-6-22)20-27(24)23-7-4-8-25(31)17-23/h4,7-9,12,17,21-22,24,26-28H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1 QKFMQLOWHWCJRM-HNPKZYAISA-N 50123148 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-4-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::CHEMBL342842 C-C chemokine receptor type 5 33 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123148&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357063 104015731 CHEMBL342842 ZINC27433019 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022830 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1cccnc1 InChI=1S/C32H46N4O2/c1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26/h3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38)/t27-,30+,31+/m0/s1 CJOPYFQSLHCHSZ-LXLYTFERSA-N 50123147 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::(R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-3-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL137728 C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123147&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505879 104015730 CHEMBL137728 ZINC53204605 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022831 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCC2)CC1)c1ccccn1 InChI=1S/C29H40N4O/c1-2-17-33(28-13-6-7-16-30-28)26-14-18-31(19-15-26)20-25-21-32(29(34)24-11-8-12-24)22-27(25)23-9-4-3-5-10-23/h3-7,9-10,13,16,24-27H,2,8,11-12,14-15,17-22H2,1H3/t25-,27+/m0/s1 OAXSOMBRDKAEHG-AHKZPQOWSA-N 50123149 CHEMBL138645::Cyclobutyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone::cyclobutyl((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)methanone C-C chemokine receptor type 5 300 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123149&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505867 104015732 CHEMBL138645 ZINC13487339 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022833 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ncccn2)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H42FN5O2/c32-26-7-2-6-24(17-26)28-21-36(29(30(38)39)16-22-4-1-5-22)20-25(28)19-35-14-10-27(11-15-35)37(18-23-8-9-23)31-33-12-3-13-34-31/h2-3,6-7,12-13,17,22-23,25,27-29H,1,4-5,8-11,14-16,18-21H2,(H,38,39)/t25-,28+,29+/m0/s1 IJCIMXNTVMTNCZ-RFYMFKDESA-N 50123132 (R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(cyclopropylmethyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL137327 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123132&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357379 104015715 CHEMBL137327 ZINC53204570 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022835 O=C(C1CCCCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ccccn2)[C@H](C1)c1ccccc1 InChI=1S/C32H44N4O/c37-32(27-11-5-2-6-12-27)35-23-28(30(24-35)26-9-3-1-4-10-26)22-34-19-16-29(17-20-34)36(21-25-14-15-25)31-13-7-8-18-33-31/h1,3-4,7-10,13,18,25,27-30H,2,5-6,11-12,14-17,19-24H2/t28-,30+/m0/s1 DBYLVFWCKXCJGF-MFMCTBQISA-N 50123145 CHEMBL136977::Cyclohexyl-{(3S,4S)-3-[4-(cyclopropylmethyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-methanone C-C chemokine receptor type 5 33 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123145&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505870 104015728 CHEMBL136977 ZINC13487342 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022837 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 InChI=1S/C31H44N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h3,5-6,9-12,15,18,26-29H,2,4,7-8,13-14,16-17,19-24H2,1H3/t27-,29+/m0/s1 FCCZWTBDYBVQPP-LMSSTIIKSA-N 50123143 CHEMBL137072::Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone::cyclohexyl((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)methanone C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123143&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505868 104015726 CHEMBL137072 ZINC13487340 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022854 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)c1ccccn1 InChI=1S/C31H37ClN4O/c1-2-18-36(30-14-8-9-17-33-30)26-15-19-34(20-16-26)21-25-22-35(23-28(25)24-10-4-3-5-11-24)31(37)27-12-6-7-13-29(27)32/h3-14,17,25-26,28H,2,15-16,18-23H2,1H3/t25-,28+/m0/s1 IAIPKBDOARAZEA-LBNVMWSVSA-N 50123133 (2-Chloro-phenyl)-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone::CHEMBL138282 C-C chemokine receptor type 5 300 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123133&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505865 104015716 CHEMBL138282 ZINC13487337 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50019931 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCS(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H40F2N2O3S/c32-26-7-9-28(10-8-26)39(38)16-13-22-11-14-34(15-12-22)19-25-20-35(30(31(36)37)17-23-3-1-4-23)21-29(25)24-5-2-6-27(33)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,36,37)/t25-,29+,30+,39?/m0/s1 JYYACAFJPRJWFF-QGJJGRFCSA-N 50121831 (R)-3-Cyclobutyl-2-[(S)-3-{4-[2-(4-fluoro-benzenesulfinyl)-ethyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL278117 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121831&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273888 104014584 CHEMBL278117 ZINC28236022 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50026928 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1 MXCQYIXLBGSZRW-LWKLBADKSA-N 50141856 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353331::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141856&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516172 104031309 CHEMBL353331 ZINC28015158 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50026929 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1 MXCQYIXLBGSZRW-LWKLBADKSA-N 50141856 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353331::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141856&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516172 104031309 CHEMBL353331 ZINC28015158 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022887 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1 HMBFXHIQISYDKM-RXVVDRJESA-N 50123435 (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL311795 C-C chemokine receptor type 5 0.010000 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123435&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483747 104015944 CHEMBL311795 ZINC22453986 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50074016 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(Cl)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H43Cl2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1 APTNUAHTAUPJSF-SSEXGKCCSA-N 50364748 CHEMBL1952100 C-C chemokine receptor type 5 <0.10 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57395184 136968810 CHEMBL1952100 ZINC82178775 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50072983 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42N4O6/c1-2-18-36(32(39)43-23-25-12-14-30(15-13-25)37(41)42)29-16-19-34(20-17-29)21-28-22-35(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2/t28-,33-/m0/s1 JNSKQYZFEVKYDB-UVMMSNCQSA-N 50321682 CHEMBL1172035::nifeviroc C-C chemokine receptor type 5 2.9 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321682&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16663418 104143211 CHEMBL1172035 ZINC53295296 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50074019 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H42F3N3O5S2/c1-3-37(30(38)23-24-9-11-28(12-10-24)43(2,39)40)27-15-18-35(19-16-27)20-17-29(25-7-5-4-6-8-25)26-13-21-36(22-14-26)44(41,42)31(32,33)34/h4-12,26-27,29H,3,13-23H2,1-2H3/t29-/m0/s1 HFLVCCCLGAIFBB-LJAQVGFWSA-N 50364751 CHEMBL1951908 C-C chemokine receptor type 5 <0.10 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57396950 136968813 CHEMBL1951908 ZINC82178817 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50074020 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1 QOSMEMHKXNNIGG-SSEXGKCCSA-N 50364743 CHEMBL1951914 C-C chemokine receptor type 5 0.69 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11614352 136968805 CHEMBL1951914 ZINC43101474 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50074021 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(C)cc(C)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C33H49N3O5S2/c1-6-36(33(37)24-27-7-9-31(10-8-27)42(4,38)39)30-13-16-34(17-14-30)18-15-32(29-22-25(2)21-26(3)23-29)28-11-19-35(20-12-28)43(5,40)41/h7-10,21-23,28,30,32H,6,11-20,24H2,1-5H3/t32-/m1/s1 IKWARAQMGAFTPX-JGCGQSQUSA-N 50364745 CHEMBL1951916 C-C chemokine receptor type 5 <0.10 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57396953 136968807 CHEMBL1951916 ZINC73291900 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50073819 Cc1ccc(cc1)-c1ccc2CCCC(Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H40N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21,29,32H,4-6,17-20,22-23H2,1-3H3/p+1 DLDMBICNXCWVTP-UHFFFAOYSA-O 50351152 CHEMBL1817917 C-C chemokine receptor type 5 7.9 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351152&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 24885008 136357838 CHEMBL1817917 ZINC72106411 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50073820 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19-,23-20- LOTZSYKJMYSNJV-IKJQKJQYSA-N 50242053 6,8-didec-(1Z)-enyl-5,7-dimethyl-2,3-dihydro-1H-indolizinium trifluoroacetic acid salt::Anibamine::CHEMBL2057533::CHEMBL469649::anibamine TFA C-C chemokine receptor type 5 1000 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6479877 104098933 CHEMBL469649CHEMBL2057533 ZINC44405966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094463 CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1 InChI=1S/C27H31N3O2/c1-2-32-26-13-10-23(18-25(26)29-27(31)22-6-4-3-5-7-22)21-14-16-30(17-15-21)19-20-8-11-24(28)12-9-20/h3-13,18,21H,2,14-17,19,28H2,1H3,(H,29,31) FTEKPBHSOOUJIW-UHFFFAOYSA-N 50441876 CHEMBL2436820 C-C chemokine receptor type 5 63000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441876&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73347961 175454193 CHEMBL2436820 ZINC96285586 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094504 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccccc2)CC1 InChI=1S/C25H29N5O2/c1-19(2)32-24-9-8-21(16-22(24)28-25(31)23-17-26-10-11-27-23)30-14-12-29(13-15-30)18-20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,28,31) AANOMZQEAPYXAF-UHFFFAOYSA-N 50013304 CHEMBL3263023 C-C chemokine receptor type 5 10300 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013304&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656325 103925519 CHEMBL3263023 ZINC27631053 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094505 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 InChI=1S/C25H28N6O4/c1-18(2)35-24-8-7-21(15-22(24)28-25(32)23-16-26-9-10-27-23)30-13-11-29(12-14-30)17-19-3-5-20(6-4-19)31(33)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,28,32) UTROMYUPPXJUJS-UHFFFAOYSA-N 50013306 CHEMBL3263022 C-C chemokine receptor type 5 6450 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013306&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656326 103925521 CHEMBL3263022 ZINC27628209 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094506 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1 InChI=1S/C25H28N6O4/c1-18(2)35-24-7-6-20(15-22(24)28-25(32)23-16-26-8-9-27-23)30-12-10-29(11-13-30)17-19-4-3-5-21(14-19)31(33)34/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,28,32) TZRGOKJKFKLMNZ-UHFFFAOYSA-N 50013307 CHEMBL3263024 C-C chemokine receptor type 5 >50000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013307&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656327 103925522 CHEMBL3263024 ZINC27631256 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094507 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccccc2[N+]([O-])=O)CC1 InChI=1S/C25H28N6O4/c1-18(2)35-24-8-7-20(15-21(24)28-25(32)22-16-26-9-10-27-22)30-13-11-29(12-14-30)17-19-5-3-4-6-23(19)31(33)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,28,32) JXEFYKRNDNVYAL-UHFFFAOYSA-N 50013308 CHEMBL3263025 C-C chemokine receptor type 5 16800 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013308&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656328 103925523 CHEMBL3263025 ZINC27631273 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094508 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)CC1 InChI=1S/C25H27N7O6/c1-17(2)38-24-4-3-19(14-22(24)28-25(33)23-15-26-5-6-27-23)30-9-7-29(8-10-30)16-18-11-20(31(34)35)13-21(12-18)32(36)37/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,28,33) FRVHVGYVXORZDP-UHFFFAOYSA-N 50013310 CHEMBL3259852 C-C chemokine receptor type 5 >50000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013310&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656329 103925525 CHEMBL3259852 ZINC20153796 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094509 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(Cl)cc2)CC1 InChI=1S/C25H28ClN5O2/c1-18(2)33-24-8-7-21(15-22(24)29-25(32)23-16-27-9-10-28-23)31-13-11-30(12-14-31)17-19-3-5-20(26)6-4-19/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,29,32) PYNNLEIBRBUNSI-UHFFFAOYSA-N 50013311 CHEMBL3263026 C-C chemokine receptor type 5 6290 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013311&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656330 103925526 CHEMBL3263026 ZINC06251082 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094510 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(cc2)C#N)CC1 InChI=1S/C26H28N6O2/c1-19(2)34-25-8-7-22(15-23(25)30-26(33)24-17-28-9-10-29-24)32-13-11-31(12-14-32)18-21-5-3-20(16-27)4-6-21/h3-10,15,17,19H,11-14,18H2,1-2H3,(H,30,33) ZNLLHMBYSIKXSE-UHFFFAOYSA-N 50013312 CHEMBL3263027 C-C chemokine receptor type 5 >50000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013312&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656331 103925527 CHEMBL3263027 ZINC27632855 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094511 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(F)cc2)CC1 InChI=1S/C25H28FN5O2/c1-18(2)33-24-8-7-21(15-22(24)29-25(32)23-16-27-9-10-28-23)31-13-11-30(12-14-31)17-19-3-5-20(26)6-4-19/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,29,32) OZLRWZTYLSNJOE-UHFFFAOYSA-N 50013313 CHEMBL3263028 C-C chemokine receptor type 5 >50000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013313&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656332 103925528 CHEMBL3263028 ZINC27630935 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094512 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(Br)cc2)CC1 InChI=1S/C25H28BrN5O2/c1-18(2)33-24-8-7-21(15-22(24)29-25(32)23-16-27-9-10-28-23)31-13-11-30(12-14-31)17-19-3-5-20(26)6-4-19/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,29,32) BCMDPMFBXCBQIA-UHFFFAOYSA-N 50013314 CHEMBL3263029 C-C chemokine receptor type 5 23000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013314&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656333 103925529 CHEMBL3263029 ZINC27629316 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094513 COC(=O)c1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 InChI=1S/C27H31N5O4/c1-19(2)36-25-9-8-22(16-23(25)30-26(33)24-17-28-10-11-29-24)32-14-12-31(13-15-32)18-20-4-6-21(7-5-20)27(34)35-3/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,30,33) VEOSOVNOHIBZSV-UHFFFAOYSA-N 50013315 CHEMBL3263030 C-C chemokine receptor type 5 9800 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013315&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656334 103925530 CHEMBL3263030 ZINC27633714 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094514 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(cc2)C(O)=O)CC1 InChI=1S/C26H29N5O4/c1-18(2)35-24-8-7-21(15-22(24)29-25(32)23-16-27-9-10-28-23)31-13-11-30(12-14-31)17-19-3-5-20(6-4-19)26(33)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,29,32)(H,33,34) JBBFWASFRPAOEI-UHFFFAOYSA-N 50013317 CHEMBL3263031 C-C chemokine receptor type 5 41200 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013317&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656335 103925532 CHEMBL3263031 ZINC27631601 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094515 COS(=O)(=O)c1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 InChI=1S/C26H31N5O5S/c1-19(2)36-25-9-6-21(16-23(25)29-26(32)24-17-27-10-11-28-24)31-14-12-30(13-15-31)18-20-4-7-22(8-5-20)37(33,34)35-3/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,32) HQINWUZSEOXFNJ-UHFFFAOYSA-N 50013318 CHEMBL3263032 C-C chemokine receptor type 5 >50000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013318&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656336 103925533 CHEMBL3263032 ZINC27632566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094516 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(cc2)S(C)(=O)=O)CC1 InChI=1S/C26H31N5O4S/c1-19(2)35-25-9-6-21(16-23(25)29-26(32)24-17-27-10-11-28-24)31-14-12-30(13-15-31)18-20-4-7-22(8-5-20)36(3,33)34/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,32) HFJJRWQHKRAUHD-UHFFFAOYSA-N 50013319 CHEMBL3263033 C-C chemokine receptor type 5 45800 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013319&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656337 103925534 CHEMBL3263033 ZINC27632865 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094517 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(C)cc2)CC1 InChI=1S/C26H31N5O2/c1-19(2)33-25-9-8-22(16-23(25)29-26(32)24-17-27-10-11-28-24)31-14-12-30(13-15-31)18-21-6-4-20(3)5-7-21/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,32) YJYSRJUZHKSHGJ-UHFFFAOYSA-N 50013320 CHEMBL3263034 C-C chemokine receptor type 5 45900 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013320&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656338 103925535 CHEMBL3263034 ZINC12952421 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094518 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(N)cc2)CC1 InChI=1S/C25H30N6O2/c1-18(2)33-24-8-7-21(15-22(24)29-25(32)23-16-27-9-10-28-23)31-13-11-30(12-14-31)17-19-3-5-20(26)6-4-19/h3-10,15-16,18H,11-14,17,26H2,1-2H3,(H,29,32) BOKCJZHMMLFTMM-UHFFFAOYSA-N 50013321 CHEMBL3263318 C-C chemokine receptor type 5 27000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013321&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656339 103925536 CHEMBL3263318 ZINC27629322 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094519 COc1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 InChI=1S/C26H31N5O3/c1-19(2)34-25-9-6-21(16-23(25)29-26(32)24-17-27-10-11-28-24)31-14-12-30(13-15-31)18-20-4-7-22(33-3)8-5-20/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,32) YSZNNTBKYVTHJB-UHFFFAOYSA-N 50013322 CHEMBL3263319 C-C chemokine receptor type 5 19800 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013322&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656340 103925537 CHEMBL3263319 ZINC27631252 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094520 CSc1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 InChI=1S/C26H31N5O2S/c1-19(2)33-25-9-6-21(16-23(25)29-26(32)24-17-27-10-11-28-24)31-14-12-30(13-15-31)18-20-4-7-22(34-3)8-5-20/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,32) UPIGFIVIAXKBBQ-UHFFFAOYSA-N 50013323 CHEMBL3263320 C-C chemokine receptor type 5 5100 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013323&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656341 103925538 CHEMBL3263320 ZINC27629720 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094521 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(NC(C)=O)cc2)CC1 InChI=1S/C27H32N6O3/c1-19(2)36-26-9-8-23(16-24(26)31-27(35)25-17-28-10-11-29-25)33-14-12-32(13-15-33)18-21-4-6-22(7-5-21)30-20(3)34/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,30,34)(H,31,35) BRNQFKDKHNCFRL-UHFFFAOYSA-N 50013324 CHEMBL3263321 C-C chemokine receptor type 5 25600 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013324&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656342 103925539 CHEMBL3263321 ZINC27634105 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094522 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(cc2)N(C)C)CC1 InChI=1S/C27H34N6O2/c1-20(2)35-26-10-9-23(17-24(26)30-27(34)25-18-28-11-12-29-25)33-15-13-32(14-16-33)19-21-5-7-22(8-6-21)31(3)4/h5-12,17-18,20H,13-16,19H2,1-4H3,(H,30,34) AGESNOWGWUMTQX-UHFFFAOYSA-N 50013325 CHEMBL3263322 C-C chemokine receptor type 5 28100 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013325&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 90656343 103925540 CHEMBL3263322 ZINC27628049 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50094523 CCN(CC)c1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 InChI=1S/C29H38N6O2/c1-5-34(6-2)24-9-7-23(8-10-24)21-33-15-17-35(18-16-33)25-11-12-28(37-22(3)4)26(19-25)32-29(36)27-20-30-13-14-31-27/h7-14,19-20,22H,5-6,15-18,21H2,1-4H3,(H,32,36) XGQZSCPLPSBVAV-UHFFFAOYSA-N 50013326 CHEMBL3259855 C-C chemokine receptor type 5 48000 ChEMBL 10.1016/j.bmcl.2014.03.073 10.7270/Q29C6ZZM 24731275 Arnatt, CK; Adams, JL; Zhang, Z; Haney, KM; Li, G; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013326&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 86294766 103925541 CHEMBL3259855 ZINC27633746 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220378 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCS(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H40F2N2O3S/c32-26-7-9-28(10-8-26)39(38)16-13-22-11-14-34(15-12-22)19-25-20-35(30(31(36)37)17-23-3-1-4-23)21-29(25)24-5-2-6-27(33)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,36,37)/t25-,29+,30+,39?/m0/s1 JYYACAFJPRJWFF-QGJJGRFCSA-N 50121831 (R)-3-Cyclobutyl-2-[(S)-3-{4-[2-(4-fluoro-benzenesulfinyl)-ethyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL278117 C-C chemokine receptor type 5 0.500 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121831&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273888 104014584 CHEMBL278117 ZINC28236022 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50163291 Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+ QBRLVMQBZIFWTB-WEVVVXLNSA-N 50091438 (E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-indol-3-yl)-piperidin-1-yl]-pentyl}-acrylamide::(E)-3-(3,4-dichlorophenyl)-N-(5-(4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl)pentyl)acrylamide::3-(3,4-dichlorophenyl)-N-(5-(4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl)pentyl)acrylamide::CHEMBL432713::TCMDC-139245 C-C chemokine receptor type 5 4260.0 ChEMBL 10.1016/s0960-894x(00)00347-4 10.7270/Q2H70F2Z 10969972 Forbes, IT; Cooper, DG; Dodds, EK; Hickey, DM; Ife, RJ; Meeson, M; Stockley, M; Berkhout, TA; Gohil, J; Groot, PH; Moores, K SmithKline Beecham Pharmaceuticals Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091438&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10436045 103989697 CHEMBL432713 782 ZINC13527113 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50163329 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.4 ChEMBL 10.1016/s0960-894x(00)00347-4 10.7270/Q2H70F2Z 10969972 Forbes, IT; Cooper, DG; Dodds, EK; Hickey, DM; Ife, RJ; Meeson, M; Stockley, M; Berkhout, TA; Gohil, J; Groot, PH; Moores, K SmithKline Beecham Pharmaceuticals Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50171013 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 DQWSENNLMPJNRJ-WHLIWEHUSA-N 50337619 ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::((3S,4S)-N-[(1R,3S)-3-isopropyl-3-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}carbonyl)cyclopentyl]-3-methoxytetrahydro-2H-pyran-4-amine::CHEMBL1683074 C-C chemokine receptor type 5 5.3 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337619&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992246 125087721 CHEMBL1683074 ZINC35873569 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50171022 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(F)(F)F)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F InChI=1S/C24H32F6N4O3/c1-36-19-14-37-11-4-18(19)32-17-2-5-22(13-17,15-23(25,26)27)21(35)34-9-7-33(8-10-34)20-12-16(3-6-31-20)24(28,29)30/h3,6,12,17-19,32H,2,4-5,7-11,13-15H2,1H3/t17-,18+,19-,22+/m1/s1 WXRJQYAAIDCOMB-MOXWOTFGSA-N 50337634 ((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL1683190 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337634&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53325460 125087736 CHEMBL1683190 ZINC66080384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157375 Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(CC[N+]2(C)CCCCC2)cc1 InChI=1S/C32H36N2O2/c1-24-6-10-26(11-7-24)27-12-15-31-29(22-27)23-28(17-21-36-31)32(35)33-30-13-8-25(9-14-30)16-20-34(2)18-4-3-5-19-34/h6-15,22-23H,3-5,16-21H2,1-2H3/p+1 INJKKEOCLGEHDY-UHFFFAOYSA-O 50088303 1-Methyl-1-(2-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-phenyl}-ethyl)-piperidinium; iodide::CHEMBL64163 C-C chemokine receptor type 5 110 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088303&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474165 103987227 CHEMBL64163 ZINC13808560 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157376 C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3OCC2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1 InChI=1S/C32H33F3N2O3/c1-37(2,29-14-16-39-17-15-29)21-22-3-10-28(11-4-22)36-31(38)25-13-18-40-30-12-7-24(19-26(30)20-25)23-5-8-27(9-6-23)32(33,34)35/h3-12,19-20,29H,13-18,21H2,1-2H3/p+1 JUEYXIWASNAVBU-UHFFFAOYSA-O 50088302 CHEMBL56565::Dimethyl-(tetrahydro-pyran-4-yl)-(4-{[7-(4-trifluoromethyl-phenyl)-2,3-dihydro-benzo[b]oxepine-4-carbonyl]-amino}-benzyl)-ammonium; iodide C-C chemokine receptor type 5 1.5 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088302&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474168 103987226 CHEMBL56565 ZINC38154945 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157377 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.8 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157378 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157379 Cc1ccc(cc1)-c1ccc2OCC(=Cc2c1)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1 InChI=1S/C30H32N2O2/c1-22-6-10-24(11-7-22)25-12-15-29-26(18-25)19-27(21-34-29)30(33)31-28-13-8-23(9-14-28)20-32(2)16-4-3-5-17-32/h6-15,18-19H,3-5,16-17,20-21H2,1-2H3/p+1 FWIATNJEFIMESS-UHFFFAOYSA-O 50088305 1-Methyl-1-{4-[(6-p-tolyl-2H-chromene-3-carbonyl)-amino]-benzyl}-piperidinium; iodide::CHEMBL64591 C-C chemokine receptor type 5 660.0 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088305&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474156 103987229 CHEMBL64591 ZINC13808544 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157380 CC[N+](CC)(CC)Cc1ccc(NC(=O)C2=Cc3cc(ccc3CC2)-c2ccccc2)cc1 InChI=1S/C30H34N2O/c1-4-32(5-2,6-3)22-23-12-18-29(19-13-23)31-30(33)27-17-15-25-14-16-26(20-28(25)21-27)24-10-8-7-9-11-24/h7-14,16,18-21H,4-6,15,17,22H2,1-3H3/p+1 OUTICDRQYWWTGY-UHFFFAOYSA-O 50088307 CHEMBL292345::Triethyl-{4-[(7-phenyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-benzyl}-ammonium; chloride C-C chemokine receptor type 5 840.0 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088307&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474152 103987231 CHEMBL292345 ZINC13808537 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157381 Cc1ccc(cc1)-c1ccc2CCC(=Cc2c1)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1 InChI=1S/C31H34N2O/c1-23-6-10-25(11-7-23)27-14-12-26-13-15-28(21-29(26)20-27)31(34)32-30-16-8-24(9-17-30)22-33(2)18-4-3-5-19-33/h6-12,14,16-17,20-21H,3-5,13,15,18-19,22H2,1-2H3/p+1 BSMLTNRLIDFWEA-UHFFFAOYSA-O 50088308 1-Methyl-1-{4-[(7-p-tolyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-benzyl}-piperidinium; iodide::CHEMBL303964 C-C chemokine receptor type 5 240 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088308&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474155 103987232 CHEMBL303964 ZINC03940966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157382 CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(ccc3OCC2)-c2ccc(C)cc2)cc1 InChI=1S/C32H38N2O2/c1-6-30(7-2)34(4,5)22-24-10-15-29(16-11-24)33-32(35)27-18-19-36-31-17-14-26(20-28(31)21-27)25-12-8-23(3)9-13-25/h8-17,20-21,30H,6-7,18-19,22H2,1-5H3/p+1 DZPMDPNRYBBNFJ-UHFFFAOYSA-O 50088306 (1-Ethyl-propyl)-dimethyl-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-benzyl}-ammonium; iodide::CHEMBL294788 C-C chemokine receptor type 5 3.3 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088306&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474163 103987230 CHEMBL294788 ZINC13808556 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157383 Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCSCC2)cc1 InChI=1S/C32H36N2O2S/c1-23-4-8-25(9-5-23)26-10-13-31-28(20-26)21-27(14-17-36-31)32(35)33-29-11-6-24(7-12-29)22-34(2,3)30-15-18-37-19-16-30/h4-13,20-21,30H,14-19,22H2,1-3H3/p+1 NDVWHZJRYRKZQM-UHFFFAOYSA-O 50088311 CHEMBL61208::Dimethyl-(tetrahydro-thiopyran-4-yl)-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-benzyl}-ammonium; iodide C-C chemokine receptor type 5 3.1 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088311&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474161 103987235 CHEMBL61208 ZINC13808552 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157384 Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1 InChI=1S/C31H34N2O2/c1-23-6-10-25(11-7-23)26-12-15-30-28(20-26)21-27(16-19-35-30)31(34)32-29-13-8-24(9-14-29)22-33(2)17-4-3-5-18-33/h6-15,20-21H,3-5,16-19,22H2,1-2H3/p+1 YCLWOGPIRAHCJA-UHFFFAOYSA-O 50088309 1-Methyl-1-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-benzyl}-piperidinium; iodide::CHEMBL61267 C-C chemokine receptor type 5 43 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088309&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474158 103987233 CHEMBL61267 ZINC13808548 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157385 C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(ccc4CC3)-c3ccccc3)cc2)CCOCC1 InChI=1S/C29H30N2O2/c1-31(15-17-33-18-16-31)21-22-7-13-28(14-8-22)30-29(32)26-12-10-24-9-11-25(19-27(24)20-26)23-5-3-2-4-6-23/h2-9,11,13-14,19-20H,10,12,15-18,21H2,1H3/p+1 BFQCGODPILXRAA-UHFFFAOYSA-O 50088310 4-Methyl-4-{4-[(7-phenyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-benzyl}-morpholin-4-ium; iodide::CHEMBL65649 C-C chemokine receptor type 5 1200 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088310&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474151 103987234 CHEMBL65649 ZINC13808535 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157386 C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3CCC2)-c2ccc(cc2)N2CCCC2)cc1)C1CCOCC1 InChI=1S/C36H43N3O2/c1-39(2,35-18-22-41-23-19-35)26-27-8-14-33(15-9-27)37-36(40)31-7-5-6-28-10-11-30(24-32(28)25-31)29-12-16-34(17-13-29)38-20-3-4-21-38/h8-17,24-25,35H,3-7,18-23,26H2,1-2H3/p+1 QOFMDYNMOFWNOM-UHFFFAOYSA-O 50088312 CHEMBL62180::Dimethyl-(4-{[3-(4-pyrrolidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carbonyl]-amino}-benzyl)-(tetrahydro-pyran-4-yl)-ammonium; iodide C-C chemokine receptor type 5 3.8 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088312&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474169 103987236 CHEMBL62180 ZINC38154943 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157387 C[N+]1(CCc2ccc(NC(=O)C3=Cc4cc(ccc4CC3)-c3ccccc3)cc2)CCCCC1 InChI=1S/C31H34N2O/c1-33(19-6-3-7-20-33)21-18-24-10-16-30(17-11-24)32-31(34)28-15-13-26-12-14-27(22-29(26)23-28)25-8-4-2-5-9-25/h2,4-5,8-12,14,16-17,22-23H,3,6-7,13,15,18-21H2,1H3/p+1 GMTMRQWDHOALNH-UHFFFAOYSA-O 50088313 1-Methyl-1-(2-{4-[(7-phenyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-phenyl}-ethyl)-piperidinium; iodide::CHEMBL62611 C-C chemokine receptor type 5 1100 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088313&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474154 103987237 CHEMBL62611 ZINC13808541 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157388 Cc1cccc[n+]1Cc1ccc(NC(=O)C2=Cc3cc(ccc3CC2)-c2ccccc2)cc1 InChI=1S/C30H26N2O/c1-22-7-5-6-18-32(22)21-23-10-16-29(17-11-23)31-30(33)27-15-13-25-12-14-26(19-28(25)20-27)24-8-3-2-4-9-24/h2-12,14,16-20H,13,15,21H2,1H3/p+1 ZHJOCJYRPIZAFZ-UHFFFAOYSA-O 50088314 2-Methyl-1-{4-[(7-phenyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-benzyl}-pyridinium; chloride::CHEMBL65605 C-C chemokine receptor type 5 3200 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088314 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088314&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474153 103987238 CHEMBL65605 ZINC13808539 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157389 CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)\C=C\c2cccc(c2)-c2ccc(C)cc2)cc1 InChI=1S/C35H46NOP/c1-5-8-24-38(25-9-6-2,26-10-7-3)28-31-16-21-34(22-17-31)36-35(37)23-18-30-12-11-13-33(27-30)32-19-14-29(4)15-20-32/h11-23,27H,5-10,24-26,28H2,1-4H3/p+1/b23-18+ JONICLMPWCXBSY-PTGBLXJZSA-O 50088316 CHEMBL62454::Tributyl-{4-[3-(4'-methyl-biphenyl-3-yl)-acryloylamino]-benzyl}-phosphonium; chloride C-C chemokine receptor type 5 620 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088316&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10840677 103987240 CHEMBL62454 ZINC26171182 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157390 Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)CCCO)cc1 InChI=1S/C30H34N2O3/c1-22-5-9-24(10-6-22)25-11-14-29-27(19-25)20-26(15-18-35-29)30(34)31-28-12-7-23(8-13-28)21-32(2,3)16-4-17-33/h5-14,19-20,33H,4,15-18,21H2,1-3H3/p+1 PCROXFFKMNLHDE-UHFFFAOYSA-O 50088315 (3-Hydroxy-propyl)-dimethyl-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-benzyl}-ammonium; iodide::CHEMBL294501 C-C chemokine receptor type 5 6.8 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088315&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478352 103987239 CHEMBL294501 ZINC13808558 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157392 C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3CCC2)-c2ccc(cc2)N2CCCCC2)cc1)C1CCOCC1 InChI=1S/C37H45N3O2/c1-40(2,36-19-23-42-24-20-36)27-28-9-15-34(16-10-28)38-37(41)32-8-6-7-29-11-12-31(25-33(29)26-32)30-13-17-35(18-14-30)39-21-4-3-5-22-39/h9-18,25-26,36H,3-8,19-24,27H2,1-2H3/p+1 VZYGVCXPARHAQA-UHFFFAOYSA-O 50088319 CHEMBL62339::Dimethyl-(4-{[3-(4-piperidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carbonyl]-amino}-benzyl)-(tetrahydro-pyran-4-yl)-ammonium; iodide C-C chemokine receptor type 5 2.2 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088319&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474170 103987243 CHEMBL62339 ZINC38154946 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157393 Cc1ccc(cc1)-c1cccc(\C=C\C(=O)Nc2ccc(C[N+]3(C)CCCCC3)cc2)c1 InChI=1S/C29H32N2O/c1-23-9-14-26(15-10-23)27-8-6-7-24(21-27)13-18-29(32)30-28-16-11-25(12-17-28)22-31(2)19-4-3-5-20-31/h6-18,21H,3-5,19-20,22H2,1-2H3/p+1/b18-13+ FQEOINRBSWIECI-QGOAFFKASA-O 50088318 1-Methyl-1-{4-[3-(4'-methyl-biphenyl-3-yl)-acryloylamino]-benzyl}-piperidinium; iodide::CHEMBL65696 C-C chemokine receptor type 5 570.0 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088318&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6475311 103987242 CHEMBL65696 ZINC06522793 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157394 C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(ccc4CC3)-c3ccccc3)cc2)CCCCC1 InChI=1S/C30H32N2O/c1-32(18-6-3-7-19-32)22-23-10-16-29(17-11-23)31-30(33)27-15-13-25-12-14-26(20-28(25)21-27)24-8-4-2-5-9-24/h2,4-5,8-12,14,16-17,20-21H,3,6-7,13,15,18-19,22H2,1H3/p+1 IMHMCSGKTRKMAV-UHFFFAOYSA-O 50088317 1-Methyl-1-{4-[(7-phenyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-benzyl}-piperidinium; iodide::CHEMBL66301 C-C chemokine receptor type 5 390 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088317&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474149 103987241 CHEMBL66301 ZINC13808531 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157396 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1 InChI=1S/C32H36N2O/c1-24-9-13-27(14-10-24)28-16-15-26-7-6-8-29(22-30(26)21-28)32(35)33-31-17-11-25(12-18-31)23-34(2)19-4-3-5-20-34/h9-18,21-22H,3-8,19-20,23H2,1-2H3/p+1 PODLDCSLTYPEOD-UHFFFAOYSA-O 50088320 1-Methyl-1-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-piperidinium; iodide::CHEMBL62549 C-C chemokine receptor type 5 25 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088320&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474157 103987244 CHEMBL62549 ZINC13808546 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157397 CCOc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O4/c1-4-38-31-12-7-25(8-13-31)26-9-14-32-28(21-26)22-27(15-20-39-32)33(36)34-29-10-5-24(6-11-29)23-35(2,3)30-16-18-37-19-17-30/h5-14,21-22,30H,4,15-20,23H2,1-3H3/p+1 NAHVCCHBSDTCRC-UHFFFAOYSA-O 50088322 (4-{[7-(4-Ethoxy-phenyl)-2,3-dihydro-benzo[b]oxepine-4-carbonyl]-amino}-benzyl)-dimethyl-(tetrahydro-pyran-4-yl)-ammonium; iodide::CHEMBL293393 C-C chemokine receptor type 5 1.8 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088322&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474167 103987246 CHEMBL293393 ZINC13808562 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157398 C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(ccc4CC3)-c3ccccc3)cc2)CCCCCC1 InChI=1S/C31H34N2O/c1-33(19-7-2-3-8-20-33)23-24-11-17-30(18-12-24)32-31(34)28-16-14-26-13-15-27(21-29(26)22-28)25-9-5-4-6-10-25/h4-6,9-13,15,17-18,21-22H,2-3,7-8,14,16,19-20,23H2,1H3/p+1 LASDXRKNUJXDEG-UHFFFAOYSA-O 50088323 1-Methyl-1-{4-[(7-phenyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-benzyl}-azepanium; iodide::CHEMBL293882 C-C chemokine receptor type 5 380 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088323&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474150 103987247 CHEMBL293882 ZINC13808533 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157399 Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C32H36N2O3/c1-23-4-8-25(9-5-23)26-10-13-31-28(20-26)21-27(14-19-37-31)32(35)33-29-11-6-24(7-12-29)22-34(2,3)30-15-17-36-18-16-30/h4-13,20-21,30H,14-19,22H2,1-3H3/p+1 ULOHXEAVCVAIGW-UHFFFAOYSA-O 50088321 CHEMBL292548::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-benzyl}-ammonium; iodide C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088321&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474160 103987245 CHEMBL292548 ZINC13808550 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157401 C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(ccc4CC3)-c3ccccc3)cc2)CCCC1 InChI=1S/C29H30N2O/c1-31(17-5-6-18-31)21-22-9-15-28(16-10-22)30-29(32)26-14-12-24-11-13-25(19-27(24)20-26)23-7-3-2-4-8-23/h2-4,7-11,13,15-16,19-20H,5-6,12,14,17-18,21H2,1H3/p+1 FZMBIRYAUDRMOH-UHFFFAOYSA-O 50088324 1-Methyl-1-{4-[(7-phenyl-3,4-dihydro-naphthalene-2-carbonyl)-amino]-benzyl}-pyrrolidinium; iodide::CHEMBL65681 C-C chemokine receptor type 5 430.0 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088324&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474148 103987248 CHEMBL65681 ZINC06519726 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50157402 Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCC(=O)CC2)cc1 InChI=1S/C33H36N2O3/c1-23-4-8-25(9-5-23)26-10-17-32-28(20-26)21-27(18-19-38-32)33(37)34-29-11-6-24(7-12-29)22-35(2,3)30-13-15-31(36)16-14-30/h4-12,17,20-21,30H,13-16,18-19,22H2,1-3H3/p+1 FPEQNXXZVCEUFJ-UHFFFAOYSA-O 50088325 CHEMBL62598::Dimethyl-(4-oxo-cyclohexyl)-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxepine-4-carbonyl)-amino]-benzyl}-ammonium; iodide C-C chemokine receptor type 5 4.5 ChEMBL 10.1021/jm9906264 10.7270/Q26D5S75 10821717 Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Takeda Chemical Industries, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088325&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474162 103987249 CHEMBL62598 ZINC13808554 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173563 Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CSc3ccccc23)CC1)CNS(=O)(=O)c1ccccc1 InChI=1S/C28H30Cl2N2O2S2/c29-25-11-10-21(18-26(25)30)22(19-31-36(33,34)23-6-2-1-3-7-23)12-15-32-16-13-28(14-17-32)20-35-27-9-5-4-8-24(27)28/h1-11,18,22,31H,12-17,19-20H2/t22-/m1/s1 SOMRQTQRGWZJIT-JOCHJYFZSA-N 50096504 1'-[3-(3,4-dichlorophenyl)-4-phenylsulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL314486 C-C chemokine receptor type 5 1600 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096504&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482807 103994018 CHEMBL314486 ZINC26579972 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173564 Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)CNS(=O)(=O)c1ccccc1 InChI=1S/C28H30Cl2N2O3S2/c29-25-11-10-21(18-26(25)30)22(19-31-37(34,35)23-6-2-1-3-7-23)12-15-32-16-13-28(14-17-32)20-36(33)27-9-5-4-8-24(27)28/h1-11,18,22,31H,12-17,19-20H2/t22-,36?/m1/s1 HIMMHTUVMHCSMF-FKZKSYQESA-N 50096505 1'-[3-(3,4-dichlorophenyl)-4-phenylsulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL89251 C-C chemokine receptor type 5 230 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096505&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482808 103994019 CHEMBL89251 ZINC26577753 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173565 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 InChI=1S/C35H36Cl2N2O3S2/c1-38(44(41,42)30-14-11-27(12-15-30)26-7-3-2-4-8-26)24-29(28-13-16-32(36)33(37)23-28)17-20-39-21-18-35(19-22-39)25-43(40)34-10-6-5-9-31(34)35/h2-16,23,29H,17-22,24-25H2,1H3/t29-,43?/m1/s1 AAVVKVVWHPCJSK-CSOJFCJSSA-N 50096506 1'-[3-(3,4-dichlorophenyl)-4-methyl(4-phenylphenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL330570 C-C chemokine receptor type 5 40 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096506&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481746 103994020 CHEMBL330570 ZINC26642510 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173566 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 InChI=1S/C30H34Cl2N2O2S/c1-33(20-23-7-3-2-4-8-23)21-25(24-11-12-27(31)28(32)19-24)13-16-34-17-14-30(15-18-34)22-37(35,36)29-10-6-5-9-26(29)30/h2-12,19,25H,13-18,20-22H2,1H3/t25-/m1/s1 GUOKNTMJTLPMSI-RUZDIDTESA-N 50096507 1N-benzyl-1N-methyl-2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]-1-yl-(2S)-butan-1-amine::CHEMBL327703 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096507&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481741 103994021 CHEMBL327703 ZINC26578545 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173567 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 InChI=1S/C33H34Cl2N2O3S2/c1-36(42(39,40)28-12-10-24-6-2-3-7-25(24)20-28)22-27(26-11-13-30(34)31(35)21-26)14-17-37-18-15-33(16-19-37)23-41(38)32-9-5-4-8-29(32)33/h2-13,20-21,27H,14-19,22-23H2,1H3/t27-,41?/m1/s1 MRNGFCCVLNCTQA-YTAZJQBPSA-N 50096509 1'-[3-(3,4-dichlorophenyl)-4-methyl(2-naphthyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL328024 C-C chemokine receptor type 5 60 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096509&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481748 103994023 CHEMBL328024 ZINC26578541 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173568 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 InChI=1S/C28H31Cl2N3O3S2/c1-32(38(35,36)23-5-4-13-31-18-23)19-22(21-8-9-25(29)26(30)17-21)10-14-33-15-11-28(12-16-33)20-37(34)27-7-3-2-6-24(27)28/h2-9,13,17-18,22H,10-12,14-16,19-20H2,1H3/t22-,37?/m1/s1 SZOUSEZBVHLILP-SHGGLHHZSA-N 50096508 1'-[3-(3,4-dichlorophenyl)-4-methyl(3-pyridyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL89167 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096508&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481750 103994022 CHEMBL89167 ZINC26579100 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173569 CN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O2S2/c1-32(37(34,35)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-36-28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-/m1/s1 BMSJVKMBUPXVQE-HSZRJFAPSA-N 50096510 1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL420057 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096510&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481705 103994024 CHEMBL420057 ZINC26578638 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173570 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 InChI=1S/C27H30Cl2N2O4S3/c1-30(38(34,35)26-7-4-16-36-26)18-21(20-8-9-23(28)24(29)17-20)10-13-31-14-11-27(12-15-31)19-37(32,33)25-6-3-2-5-22(25)27/h2-9,16-17,21H,10-15,18-19H2,1H3/t21-/m1/s1 SUMKUTBDVXRKCI-OAQYLSRUSA-N 50096511 1'-[3-(3,4-dichlorophenyl)-4-methyl(2-thienyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL88976 C-C chemokine receptor type 5 120 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096511&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481707 103994025 CHEMBL88976 ZINC26580315 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173571 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O4S2/c1-32(39(36,37)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-38(34,35)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-/m1/s1 PJHBYMVWXMMXGU-HSZRJFAPSA-N 50096512 1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL421356 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096512&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481704 103994026 CHEMBL421356 ZINC26578133 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173572 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 InChI=1S/C31H34Cl2N2O2S/c1-34(30(36)19-23-7-3-2-4-8-23)21-25(24-11-12-27(32)28(33)20-24)13-16-35-17-14-31(15-18-35)22-38(37)29-10-6-5-9-26(29)31/h2-12,20,25H,13-19,21-22H2,1H3/t25-,38?/m1/s1 NJTRIIAWECXRRV-PNRFPLAFSA-N 50096513 1-oxo-1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1N-methyl-2-phenylacetamide::1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1-oxide-1N-methyl-2-phenylacetamide::CHEMBL314342 C-C chemokine receptor type 5 640 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096513&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481736 103994027 CHEMBL314342 ZINC26579512 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173573 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 InChI=1S/C28H36Cl2N2O3S2/c1-31(37(34,35)23-6-2-3-7-23)19-22(21-10-11-25(29)26(30)18-21)12-15-32-16-13-28(14-17-32)20-36(33)27-9-5-4-8-24(27)28/h4-5,8-11,18,22-23H,2-3,6-7,12-17,19-20H2,1H3/t22-,36?/m1/s1 JAGRLYPMZPJKJU-FKZKSYQESA-N 50096514 1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1N-methyl-1-octanesulfonamide::CHEMBL87167 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096514&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478496 103994028 CHEMBL87167 ZINC26577534 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173574 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-,37?/m1/s1 AKMPPEHIIYDFBC-FIPDIQNESA-N 50096515 (2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[1-oxo-2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL79504 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 471179 103994029 CHEMBL79504 ZINC26495576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173575 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cccnc12 InChI=1S/C32H33Cl2N3O3S2/c1-36(42(39,40)30-10-4-6-23-7-5-16-35-31(23)30)21-25(24-11-12-27(33)28(34)20-24)13-17-37-18-14-32(15-19-37)22-41(38)29-9-3-2-8-26(29)32/h2-12,16,20,25H,13-15,17-19,21-22H2,1H3/t25-,41?/m1/s1 SHRJWZUAWVEGAF-GXIPDCQLSA-N 50096516 1'-[3-(3,4-dichlorophenyl)-4-methyl(8-quinolyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL315084 C-C chemokine receptor type 5 90 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481751 103994030 CHEMBL315084 ZINC26579384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173576 CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C25H33Cl2N3O3S2/c1-28(2)35(32,33)29(3)17-20(19-8-9-22(26)23(27)16-19)10-13-30-14-11-25(12-15-30)18-34(31)24-7-5-4-6-21(24)25/h4-9,16,20H,10-15,17-18H2,1-3H3/t20-,34?/m1/s1 AXMFPMPIDBXVKP-DKVUXROGSA-N 50096518 1'-[3-(3,4-dichlorophenyl)-4-methyl(dimethylamino)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL90272 C-C chemokine receptor type 5 340 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096518&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478493 103994032 CHEMBL90272 ZINC26578674 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173577 CCCCCCCCS(=O)(=O)N(C)C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C31H44Cl2N2O3S2/c1-3-4-5-6-7-10-21-40(37,38)34(2)23-26(25-13-14-28(32)29(33)22-25)15-18-35-19-16-31(17-20-35)24-39(36)30-12-9-8-11-27(30)31/h8-9,11-14,22,26H,3-7,10,15-21,23-24H2,1-2H3/t26-,39?/m1/s1 NDGZCXONAFXCEW-ZFPLWWAGSA-N 50096517 1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1N-methyl-1-octanesulfonamide::CHEMBL91045 C-C chemokine receptor type 5 1400 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096517&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478495 103994031 CHEMBL91045 ZINC38150239 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173578 Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)COC(=O)c1ccccc1 InChI=1S/C29H29Cl2NO3S/c30-25-11-10-22(18-26(25)31)23(19-35-28(33)21-6-2-1-3-7-21)12-15-32-16-13-29(14-17-32)20-36(34)27-9-5-4-8-24(27)29/h1-11,18,23H,12-17,19-20H2/t23-,36?/m1/s1 BHTTVKSUOKJDOR-OSGDARACSA-N 50096519 Benzoic acid (S)-2-(3,4-dichloro-phenyl)-4-(spiro[1-benzothiophene-3,4'-piperidinyl])butyl ester::CHEMBL88319 C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096519&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481743 103994033 CHEMBL88319 ZINC26579148 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173579 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cn(C)cn1 InChI=1S/C27H32Cl2N4O3S2/c1-31-17-26(30-19-31)38(35,36)32(2)16-21(20-7-8-23(28)24(29)15-20)9-12-33-13-10-27(11-14-33)18-37(34)25-6-4-3-5-22(25)27/h3-8,15,17,19,21H,9-14,16,18H2,1-2H3/t21-,37?/m1/s1 WQOMNVLBWYNNQA-XFAQZLOPSA-N 50096521 1'-[3-(3,4-dichlorophenyl)-4-methyl(1-methyl-imidazol-4-yl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL314077 C-C chemokine receptor type 5 340 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096521&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478512 103994035 CHEMBL314077 ZINC26579064 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173580 Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)COCc1ccccc1 InChI=1S/C29H31Cl2NO2S/c30-26-11-10-23(18-27(26)31)24(20-34-19-22-6-2-1-3-7-22)12-15-32-16-13-29(14-17-32)21-35(33)28-9-5-4-8-25(28)29/h1-11,18,24H,12-17,19-21H2/t24-,35?/m1/s1 CBMMNOSYXCNURZ-YAYCPNDQSA-N 50096520 Benzyl (S)-2-(3,4-dichloro-phenyl)-4-(spiro[1-benzothiophene-3,4'-piperidinyl])butyl ester::CHEMBL315707 C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481742 103994034 CHEMBL315707 ZINC26579497 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173581 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O InChI=1S/C24H30Cl2N2O3S2/c1-27(33(2,30)31)16-19(18-7-8-21(25)22(26)15-18)9-12-28-13-10-24(11-14-28)17-32(29)23-6-4-3-5-20(23)24/h3-8,15,19H,9-14,16-17H2,1-2H3/t19-,32?/m1/s1 MMRDOJBBPHWJJW-XHYMPFLFSA-N 50096522 CHEMBL89221::N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-N-methylmethanesulfonamide C-C chemokine receptor type 5 850 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096522&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478494 103994036 CHEMBL89221 ZINC26578915 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173582 CCN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H34Cl2N2O3S2/c1-2-34(39(36,37)25-8-4-3-5-9-25)21-24(23-12-13-27(31)28(32)20-23)14-17-33-18-15-30(16-19-33)22-38(35)29-11-7-6-10-26(29)30/h3-13,20,24H,2,14-19,21-22H2,1H3/t24-,38?/m1/s1 JHFSXSQRPYGVML-WXKMRPJQSA-N 50096523 1'-[3-(3,4-dichlorophenyl)-4-ethyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL315293 C-C chemokine receptor type 5 130 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096523&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482810 103994037 CHEMBL315293 ZINC26579366 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173583 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12 InChI=1S/C33H34Cl2N2O3S2/c1-36(42(39,40)32-12-6-8-24-7-2-3-9-27(24)32)22-26(25-13-14-29(34)30(35)21-25)15-18-37-19-16-33(17-20-37)23-41(38)31-11-5-4-10-28(31)33/h2-14,21,26H,15-20,22-23H2,1H3/t26-,41?/m1/s1 UNJRWDQWFXSFPO-VUCMSXJASA-N 50096525 1'-[3-(3,4-dichlorophenyl)-4-methyl(1-naphthyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL328025 C-C chemokine receptor type 5 360 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096525&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481747 103994039 CHEMBL328025 ZINC26578543 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173584 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccsc1 InChI=1S/C27H30Cl2N2O3S3/c1-30(37(33,34)22-9-15-35-18-22)17-21(20-6-7-24(28)25(29)16-20)8-12-31-13-10-27(11-14-31)19-36(32)26-5-3-2-4-23(26)27/h2-7,9,15-16,18,21H,8,10-14,17,19H2,1H3/t21-,36?/m1/s1 DFFXDKRXIFQUQA-XAEBCRAKSA-N 50096526 1'-[3-(3,4-dichlorophenyl)-4-methyl(3-thienyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL329146 C-C chemokine receptor type 5 >4000 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096526&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478508 103994040 CHEMBL329146 ZINC26578935 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173585 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 InChI=1S/C30H34Cl2N2O3S2/c1-33(39(36,37)21-23-7-3-2-4-8-23)20-25(24-11-12-27(31)28(32)19-24)13-16-34-17-14-30(15-18-34)22-38(35)29-10-6-5-9-26(29)30/h2-12,19,25H,13-18,20-22H2,1H3/t25-,38?/m1/s1 JOCSJNBEXFKNIX-PNRFPLAFSA-N 50096524 CHEMBL88159::N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-N-methylphenylmethanesulfonamide C-C chemokine receptor type 5 590 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481754 103994038 CHEMBL88159 ZINC26580314 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173586 CCN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H34Cl2N2O4S2/c1-2-34(40(37,38)25-8-4-3-5-9-25)21-24(23-12-13-27(31)28(32)20-23)14-17-33-18-15-30(16-19-33)22-39(35,36)29-11-7-6-10-26(29)30/h3-13,20,24H,2,14-19,21-22H2,1H3/t24-/m1/s1 QLWQXUNYTZTCEO-XMMPIXPASA-N 50096527 1'-[3-(3,4-dichlorophenyl)-4-ethyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL330734 C-C chemokine receptor type 5 160 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096527&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482811 103994041 CHEMBL330734 ZINC26578916 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173587 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl InChI=1S/C29H31Cl3N2O3S2/c1-33(39(36,37)28-9-5-3-7-25(28)31)19-22(21-10-11-24(30)26(32)18-21)12-15-34-16-13-29(14-17-34)20-38(35)27-8-4-2-6-23(27)29/h2-11,18,22H,12-17,19-20H2,1H3/t22-,38?/m1/s1 HMEFFWIAISUKDO-JEDURFTISA-N 50096530 1'-[4-[2-chlorophenyl(methyl)sulfonamido]-3-(3,4-dichlorophenyl)-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL88261 C-C chemokine receptor type 5 80 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096530&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481745 103994044 CHEMBL88261 ZINC26579600 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173588 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 InChI=1S/C29H38Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h5-6,9-12,19,23-24H,2-4,7-8,13-18,20-21H2,1H3/t23-,37?/m1/s1 BEJZBMDINMSNEG-FIPDIQNESA-N 50096528 1'-[4-cyclohexyl(methyl)sulfonamido-3-(3,4-dichlorophenyl)-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL88644 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096528&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481744 103994042 CHEMBL88644 ZINC26580042 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173589 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O InChI=1S/C29H31Cl2N3O6S2/c1-32(42(39,40)24-9-7-23(8-10-24)34(35)36)19-22(21-6-11-26(30)27(31)18-21)12-15-33-16-13-29(14-17-33)20-41(37,38)28-5-3-2-4-25(28)29/h2-11,18,22H,12-17,19-20H2,1H3/t22-/m1/s1 XFWDWTNIJAGIEH-JOCHJYFZSA-N 50096529 1'-[3-(3,4-dichlorophenyl)-4-methyl(4-nitrophenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL313071 C-C chemokine receptor type 5 60 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096529&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478502 103994043 CHEMBL313071 ZINC26579494 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173590 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cnc2ccccc2c1 InChI=1S/C32H33Cl2N3O3S2/c1-36(42(39,40)26-18-24-6-2-4-8-30(24)35-20-26)21-25(23-10-11-28(33)29(34)19-23)12-15-37-16-13-32(14-17-37)22-41(38)31-9-5-3-7-27(31)32/h2-11,18-20,25H,12-17,21-22H2,1H3/t25-,41?/m1/s1 GHKWAWUDHGXUPP-GXIPDCQLSA-N 50096532 1'-[3-(3,4-dichlorophenyl)-4-methyl(3-quinolyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL314551 C-C chemokine receptor type 5 120 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096532&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481752 103994046 CHEMBL314551 ZINC26579724 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173591 CCN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H34Cl2N2O2S2/c1-2-34(38(35,36)25-8-4-3-5-9-25)21-24(23-12-13-27(31)28(32)20-23)14-17-33-18-15-30(16-19-33)22-37-29-11-7-6-10-26(29)30/h3-13,20,24H,2,14-19,21-22H2,1H3/t24-/m1/s1 QRKZYCYHPYJAHM-XMMPIXPASA-N 50096533 1'-[3-(3,4-dichlorophenyl)-4-ethyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL421168 C-C chemokine receptor type 5 10000 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096533&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482809 103994047 CHEMBL421168 ZINC26578234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173592 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1 InChI=1S/C30H32Cl2N2O3S/c1-33(29(35)37-24-7-3-2-4-8-24)20-23(22-11-12-26(31)27(32)19-22)13-16-34-17-14-30(15-18-34)21-38(36)28-10-6-5-9-25(28)30/h2-12,19,23H,13-18,20-21H2,1H3/t23-,38?/m1/s1 CSYLEHSOUHZAFC-KYCCWORLSA-N 50096531 1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1-oxide-1N-methyl-phenylcarbamate::CHEMBL314124 C-C chemokine receptor type 5 780 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096531&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481737 103994045 CHEMBL314124 ZINC26579421 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173593 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1 InChI=1S/C31H33Cl2N3O3S2/c1-35(41(38,39)25-7-9-29-23(18-25)10-14-34-29)20-24(22-6-8-27(32)28(33)19-22)11-15-36-16-12-31(13-17-36)21-40(37)30-5-3-2-4-26(30)31/h2-10,14,18-19,24,34H,11-13,15-17,20-21H2,1H3/t24-,40?/m1/s1 UQMQSJFZKTWCCK-MFWMSMGNSA-N 50096534 1'-[3-(3,4-dichlorophenyl)-4-[1H-5-indolyl(methyl)sulfonamido]-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL90385 C-C chemokine receptor type 5 70 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096534&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44322729 103994048 CHEMBL90385 ZINC26578892 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173594 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 InChI=1S/C27H30Cl2N2O3S3/c1-30(37(33,34)26-7-4-16-35-26)18-21(20-8-9-23(28)24(29)17-20)10-13-31-14-11-27(12-15-31)19-36(32)25-6-3-2-5-22(25)27/h2-9,16-17,21H,10-15,18-19H2,1H3/t21-,36?/m1/s1 QTIDZFUSYXAXHM-XAEBCRAKSA-N 50096536 1'-[3-(3,4-dichlorophenyl)-4-methyl(2-thienyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL89279 C-C chemokine receptor type 5 60 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096536&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478387 103994050 CHEMBL89279 ZINC26578606 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173595 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 InChI=1S/C29H31Cl3N2O3S2/c1-33(39(36,37)24-6-4-5-23(30)18-24)19-22(21-9-10-26(31)27(32)17-21)11-14-34-15-12-29(13-16-34)20-38(35)28-8-3-2-7-25(28)29/h2-10,17-18,22H,11-16,19-20H2,1H3/t22-,38?/m1/s1 QCBJDXAWTKFZMK-JEDURFTISA-N 50096537 1'-[4-[3-chlorophenyl(methyl)sulfonamido]-3-(3,4-dichlorophenyl)-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL88344 C-C chemokine receptor type 5 70 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096537&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478499 103994051 CHEMBL88344 ZINC26579665 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173596 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 InChI=1S/C29H31Cl3N2O3S2/c1-33(39(36,37)24-9-7-23(30)8-10-24)19-22(21-6-11-26(31)27(32)18-21)12-15-34-16-13-29(14-17-34)20-38(35)28-5-3-2-4-25(28)29/h2-11,18,22H,12-17,19-20H2,1H3/t22-,38?/m1/s1 NCQZTUCLQGWATO-JEDURFTISA-N 50096535 1'-[4-[4-chlorophenyl(methyl)sulfonamido]-3-(3,4-dichlorophenyl)-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL90620 C-C chemokine receptor type 5 40 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096535&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478500 103994049 CHEMBL90620 ZINC26579021 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173597 COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C30H34Cl2N2O4S2/c1-33(40(36,37)25-10-8-24(38-2)9-11-25)20-23(22-7-12-27(31)28(32)19-22)13-16-34-17-14-30(15-18-34)21-39(35)29-6-4-3-5-26(29)30/h3-12,19,23H,13-18,20-21H2,1-2H3/t23-,39?/m1/s1 CBYZGFYDJQMMJL-YBXHNAATSA-N 50096539 1'-[3-(3,4-dichlorophenyl)-4-[4-methoxyphenyl(methyl)sulfonamido]-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL86419 C-C chemokine receptor type 5 40 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096539&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478503 103994053 CHEMBL86419 ZINC26577813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173598 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O InChI=1S/C29H31Cl2N3O6S2/c1-32(42(39,40)24-6-4-5-23(18-24)34(35)36)19-22(21-9-10-26(30)27(31)17-21)11-14-33-15-12-29(13-16-33)20-41(37,38)28-8-3-2-7-25(28)29/h2-10,17-18,22H,11-16,19-20H2,1H3/t22-/m1/s1 WJKSMIKOFOWSCB-JOCHJYFZSA-N 50096538 1'-[3-(3,4-dichlorophenyl)-4-methyl(3-nitrophenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL313072 C-C chemokine receptor type 5 150 ChEMBL 10.1016/s0960-894x(00)00637-5 10.7270/Q29Z945C 11206473 Dorn, CP; Finke, PE; Oates, B; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096538&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478501 103994052 CHEMBL313072 ZINC26579495 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173600 CN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O2S2/c1-31(36(33,34)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-35-28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 SJPBJQYASJSDFQ-XMMPIXPASA-N 50096541 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL79716 C-C chemokine receptor type 5 270 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096541&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481859 103994055 CHEMBL79716 ZINC26497904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173601 CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)24-9-3-2-4-10-24)21-23(25-11-5-7-13-27(25)30)15-18-32-19-16-29(17-20-32)22-37(33,34)28-14-8-6-12-26(28)29/h2-14,23H,15-22H2,1H3 MVXCEIDCOZCEAI-UHFFFAOYSA-N 50096542 1'-[3-(2-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL328438 C-C chemokine receptor type 5 1300 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096542&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479838 103994056 CHEMBL328438 ZINC26649440 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173602 CN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O2S2/c1-32(37(34,35)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-36-28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-/m1/s1 BMSJVKMBUPXVQE-HSZRJFAPSA-N 50096510 1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL420057 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096510&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481705 103994024 CHEMBL420057 ZINC26578638 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173603 CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H34N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3 VAJOGYQUKHOXAR-UHFFFAOYSA-N 50096543 1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1-oxide]::CHEMBL408438 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096543&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478296 103994057 CHEMBL408438 ZINC13479347 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173604 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H38N2O2S/c1-24-14-15-28(22-25(24)2)29(23-31(3)35(33,34)30-12-8-5-9-13-30)18-21-32-19-16-27(17-20-32)26-10-6-4-7-11-26/h4-15,22,27,29H,16-21,23H2,1-3H3 HPMMCCQGOMONDB-UHFFFAOYSA-N 50096544 CHEMBL316189::N-[2-(3,4-Dimethyl-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 60 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096544&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479871 103994058 CHEMBL316189 ZINC13479377 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173605 CN(CC(CCN1CCC(CC1)c1ccccc1)C1CCCCC1)S(=O)(=O)c1ccccc1 InChI=1S/C28H40N2O2S/c1-29(33(31,32)28-15-9-4-10-16-28)23-27(25-13-7-3-8-14-25)19-22-30-20-17-26(18-21-30)24-11-5-2-6-12-24/h2,4-6,9-12,15-16,25-27H,3,7-8,13-14,17-23H2,1H3 XTWSQGXILYNBTF-UHFFFAOYSA-N 50096545 CHEMBL328088::N-[2-Cyclohexyl-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096545&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479874 103994059 CHEMBL328088 ZINC26646389 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173606 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)26-12-6-3-7-13-26)22-25(27-14-8-9-15-28(27)29)18-21-31-19-16-24(17-20-31)23-10-4-2-5-11-23/h2-15,24-25H,16-22H2,1H3 SAAXXRQGKOSDGS-UHFFFAOYSA-N 50096546 CHEMBL420242::N-[2-(2-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 3000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096546&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479857 103994060 CHEMBL420242 ZINC26580021 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173607 CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccs1)S(=O)(=O)c1ccccc1 InChI=1S/C27H32N2O3S3/c1-28(35(31,32)23-8-3-2-4-9-23)20-22(25-11-7-19-33-25)13-16-29-17-14-27(15-18-29)21-34(30)26-12-6-5-10-24(26)27/h2-12,19,22H,13-18,20-21H2,1H3 HILJSHUFSLLGRZ-UHFFFAOYSA-N 50096547 1'-[4-methyl(phenyl)sulfonamido-3-(2-thienyl)butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL90291 C-C chemokine receptor type 5 180 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096547&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479852 103994061 CHEMBL90291 ZINC26645363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173608 CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 InChI=1S/C29H40N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h3,6-9,12-15,24-25H,2,4-5,10-11,16-23H2,1H3 QSVIUQSRMGIJPZ-UHFFFAOYSA-N 50096549 1'-[3-cyclohexyl-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL88928 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096549&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479855 103994063 CHEMBL88928 ZINC26580174 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173609 CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 InChI=1S/C27H32N2O4S3/c1-28(36(32,33)24-7-3-2-4-8-24)19-22(23-12-18-34-20-23)11-15-29-16-13-27(14-17-29)21-35(30,31)26-10-6-5-9-25(26)27/h2-10,12,18,20,22H,11,13-17,19,21H2,1H3 YRLDBHYCORQAPS-UHFFFAOYSA-N 50096548 1'-[4-methyl(phenyl)sulfonamido-3-(3-thienyl)butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL418954 C-C chemokine receptor type 5 50 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096548&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 482148 103994062 CHEMBL418954 ZINC26643386 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173610 CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccs1)S(=O)(=O)c1ccccc1 InChI=1S/C27H32N2O4S3/c1-28(36(32,33)23-8-3-2-4-9-23)20-22(25-11-7-19-34-25)13-16-29-17-14-27(15-18-29)21-35(30,31)26-12-6-5-10-24(26)27/h2-12,19,22H,13-18,20-21H2,1H3 ODUUCTLYVCWWKP-UHFFFAOYSA-N 50096550 1'-[4-methyl(phenyl)sulfonamido-3-(2-thienyl)butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL328908 C-C chemokine receptor type 5 110 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096550&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479853 103994064 CHEMBL328908 ZINC26652407 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173611 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C28H34N2O2S/c1-29(33(31,32)28-15-9-4-10-16-28)23-27(25-13-7-3-8-14-25)19-22-30-20-17-26(18-21-30)24-11-5-2-6-12-24/h2-16,26-27H,17-23H2,1H3 UETIGXLCWMKVCO-UHFFFAOYSA-N 50096551 CHEMBL327484::N-Methyl-N-[2-phenyl-4-(4-phenyl-piperidin-1-yl)-butyl]-benzenesulfonamide C-C chemokine receptor type 5 120 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096551&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478308 103994065 CHEMBL327484 ZINC26649205 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173612 CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H34N2O4S2/c1-30(37(34,35)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-36(32,33)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3 LWNXOLJBTUPOET-UHFFFAOYSA-N 50096552 1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL89958 C-C chemokine receptor type 5 30 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096552&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478302 103994066 CHEMBL89958 ZINC26652186 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173614 CN(CC(CCN1CCC2(CSc3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H34N2O2S2/c1-30(35(32,33)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-34-28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3 APZFEOVXGQEKMJ-UHFFFAOYSA-N 50096553 1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL88455 C-C chemokine receptor type 5 450 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096553&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479835 103994067 CHEMBL88455 ZINC13479344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173615 CN(CC(CCN1CCC(CC1)c1ccccc1)c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H38N2O2S/c1-24-20-25(2)22-29(21-24)28(23-31(3)35(33,34)30-12-8-5-9-13-30)16-19-32-17-14-27(15-18-32)26-10-6-4-7-11-26/h4-13,20-22,27-28H,14-19,23H2,1-3H3 BKTOTQWPSFOSNZ-UHFFFAOYSA-N 50096554 CHEMBL91892::N-[2-(3,5-Dimethyl-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 160 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096554&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479868 103994068 CHEMBL91892 ZINC13479371 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173616 CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)26-7-3-2-4-8-26)20-22(23-17-24(30)19-25(31)18-23)11-14-33-15-12-29(13-16-33)21-37(34)28-10-6-5-9-27(28)29/h2-10,17-19,22H,11-16,20-21H2,1H3 SZESKYUCLVPQFH-UHFFFAOYSA-N 50096555 1'-[3-(3,5-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL92147 C-C chemokine receptor type 5 90 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096555&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479846 103994069 CHEMBL92147 ZINC26642871 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173620 CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 InChI=1S/C27H32N2O3S3/c1-28(35(31,32)24-7-3-2-4-8-24)19-22(23-12-18-33-20-23)11-15-29-16-13-27(14-17-29)21-34(30)26-10-6-5-9-25(26)27/h2-10,12,18,20,22H,11,13-17,19,21H2,1H3 LMEAYDYZNSAFOP-UHFFFAOYSA-N 50096558 1'-[4-methyl(phenyl)sulfonamido-3-(3-thienyl)butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL90747 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096558&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 482147 103994072 CHEMBL90747 ZINC26650630 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173621 CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1 BALBRXHVFNIXBS-AREMUKBSSA-N 50096557 CHEMBL312701::N-[(S)-2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide::N-[2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 30 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096557&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478307 103994071 CHEMBL312701 ZINC03916933 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173622 CN(CC(CCN1CCC(CC1)c1ccccc1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H32Cl2N2O2S/c1-31(35(33,34)28-10-6-3-7-11-28)21-24(25-18-26(29)20-27(30)19-25)14-17-32-15-12-23(13-16-32)22-8-4-2-5-9-22/h2-11,18-20,23-24H,12-17,21H2,1H3 WIBBPDXGCMFKBV-UHFFFAOYSA-N 50096562 CHEMBL90691::N-[2-(3,5-Dichloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 300 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096562&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479867 103994076 CHEMBL90691 ZINC26653149 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173623 COc1cccc(c1)C(CCN1CCC(CC1)c1ccccc1)CN(C)S(=O)(=O)c1ccccc1 InChI=1S/C29H36N2O3S/c1-30(35(32,33)29-14-7-4-8-15-29)23-27(26-12-9-13-28(22-26)34-2)18-21-31-19-16-25(17-20-31)24-10-5-3-6-11-24/h3-15,22,25,27H,16-21,23H2,1-2H3 PJJZULVPTBLADB-UHFFFAOYSA-N 50096560 CHEMBL316280::N-[2-(3-Methoxy-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096560&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479861 103994074 CHEMBL316280 ZINC26649938 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173624 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccc(C)c(F)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H35FN2O2S/c1-23-13-14-26(21-29(23)30)27(22-31(2)35(33,34)28-11-7-4-8-12-28)17-20-32-18-15-25(16-19-32)24-9-5-3-6-10-24/h3-14,21,25,27H,15-20,22H2,1-2H3 NLMHENJRNZNGGT-UHFFFAOYSA-N 50096561 CHEMBL88164::N-[2-(3-Fluoro-4-methyl-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 110 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096561&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479873 103994075 CHEMBL88164 ZINC13479381 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173625 CN(CC(CCN1CCC(CC1)c1ccccc1)c1cccnc1)S(=O)(=O)c1ccccc1 InChI=1S/C27H33N3O2S/c1-29(33(31,32)27-12-6-3-7-13-27)22-26(25-11-8-17-28-21-25)16-20-30-18-14-24(15-19-30)23-9-4-2-5-10-23/h2-13,17,21,24,26H,14-16,18-20,22H2,1H3 HSCOVCSSXNUUHY-UHFFFAOYSA-N 50096564 CHEMBL90841::N-Methyl-N-[4-(4-phenyl-piperidin-1-yl)-2-pyridin-3-yl-butyl]-benzenesulfonamide C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096564&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479879 103994078 CHEMBL90841 ZINC26645792 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173626 CN(CC(CCN1CCC(CC1)c1ccccc1)c1cccc(F)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H33FN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3 GOAGIHPIVKFWDD-UHFFFAOYSA-N 50096563 CHEMBL89715::N-[2-(3-Fluoro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096563&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479858 103994077 CHEMBL89715 ZINC13479353 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173627 CN(CC(CCN1CCC(CC1)c1ccccc1)c1cccs1)S(=O)(=O)c1ccccc1 InChI=1S/C26H32N2O2S2/c1-27(32(29,30)25-11-6-3-7-12-25)21-24(26-13-8-20-31-26)16-19-28-17-14-23(15-18-28)22-9-4-2-5-10-22/h2-13,20,23-24H,14-19,21H2,1H3 BWMWEXXFAXIRIO-UHFFFAOYSA-N 50096566 CHEMBL328888::N-Methyl-N-[4-(4-phenyl-piperidin-1-yl)-2-thiophen-2-yl-butyl]-benzenesulfonamide C-C chemokine receptor type 5 400 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096566&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479876 103994080 CHEMBL328888 ZINC13913017 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173628 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 InChI=1S/C32H36N2O2S/c1-33(37(35,36)32-14-6-3-7-15-32)25-31(30-17-16-27-12-8-9-13-29(27)24-30)20-23-34-21-18-28(19-22-34)26-10-4-2-5-11-26/h2-17,24,28,31H,18-23,25H2,1H3 DZNWWHDJWHTPPT-UHFFFAOYSA-N 50096567 CHEMBL329190::N-Methyl-N-[2-naphthalen-2-yl-4-(4-phenyl-piperidin-1-yl)-butyl]-benzenesulfonamide C-C chemokine receptor type 5 720 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096567&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23285265 103994081 CHEMBL329190 ZINC26640376 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173629 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.4 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173630 CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 InChI=1S/C29H40N2O4S2/c1-30(37(34,35)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-36(32,33)28-15-9-8-14-27(28)29/h3,6-9,12-15,24-25H,2,4-5,10-11,16-23H2,1H3 QBSQVEJPDGVATG-UHFFFAOYSA-N 50096565 1'-[3-cyclohexyl-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL90152 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096565&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479856 103994079 CHEMBL90152 ZINC26647001 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173632 CCc1cccc(c1)C(CCN1CCC(CC1)c1ccccc1)CN(C)S(=O)(=O)c1ccccc1 InChI=1S/C30H38N2O2S/c1-3-25-11-10-14-28(23-25)29(24-31(2)35(33,34)30-15-8-5-9-16-30)19-22-32-20-17-27(18-21-32)26-12-6-4-7-13-26/h4-16,23,27,29H,3,17-22,24H2,1-2H3 DVWBDZAUHCXGNF-UHFFFAOYSA-N 50096569 CHEMBL90141::N-[2-(3-Ethyl-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 110 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096569&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479859 103994083 CHEMBL90141 ZINC13479360 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173633 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc2OCOc2c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H34N2O6S2/c1-31(40(35,36)25-7-3-2-4-8-25)20-24(23-11-12-27-28(19-23)38-22-37-27)13-16-32-17-14-30(15-18-32)21-39(33,34)29-10-6-5-9-26(29)30/h2-12,19,24H,13-18,20-22H2,1H3/t24-/m1/s1 FUYLGGXQMBKXAX-XMMPIXPASA-N 50096568 1'-[3-benzo[d][1,3]dioxol-5-yl-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL328898 C-C chemokine receptor type 5 80 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096568&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481867 103994082 CHEMBL328898 ZINC26646380 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173634 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H32F2N2O2S/c1-31(35(33,34)26-10-6-3-7-11-26)21-25(24-12-13-27(29)28(30)20-24)16-19-32-17-14-23(15-18-32)22-8-4-2-5-9-22/h2-13,20,23,25H,14-19,21H2,1H3 RJQZUKFOHCVBIK-UHFFFAOYSA-N 50096571 CHEMBL313950::N-[2-(3,4-Difluoro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 570 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096571&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479870 103994085 CHEMBL313950 ZINC13479374 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173636 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H36N2O2S/c1-24-13-15-26(16-14-24)28(23-30(2)34(32,33)29-11-7-4-8-12-29)19-22-31-20-17-27(18-21-31)25-9-5-3-6-10-25/h3-16,27-28H,17-23H2,1-2H3 FGXNHQMRYZXGMJ-UHFFFAOYSA-N 50096570 CHEMBL92094::N-Methyl-N-[4-(4-phenyl-piperidin-1-yl)-2-p-tolyl-butyl]-benzenesulfonamide C-C chemokine receptor type 5 200 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096570&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479865 103994084 CHEMBL92094 ZINC13479364 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173637 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33FN2O3S2/c1-31(37(34,35)26-7-3-2-4-8-26)21-24(23-11-13-25(30)14-12-23)15-18-32-19-16-29(17-20-32)22-36(33)28-10-6-5-9-27(28)29/h2-14,24H,15-22H2,1H3/t24-,36?/m1/s1 HFVUXDLREYISIA-LHTANEHXSA-N 50096574 1'-[3-(4-fluorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL88927 C-C chemokine receptor type 5 570 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096574&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481871 103994088 CHEMBL88927 ZINC26580172 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173638 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O4S2/c1-32(39(36,37)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-38(34,35)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-/m1/s1 PJHBYMVWXMMXGU-HSZRJFAPSA-N 50096512 1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL421356 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096512&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481704 103994026 CHEMBL421356 ZINC26578133 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173639 CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O4S2/c1-32(39(36,37)26-7-3-2-4-8-26)20-22(23-17-24(30)19-25(31)18-23)11-14-33-15-12-29(13-16-33)21-38(34,35)28-10-6-5-9-27(28)29/h2-10,17-19,22H,11-16,20-21H2,1H3 AMUYEBYBXUGDJP-UHFFFAOYSA-N 50096577 1'-[3-(3,5-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL91374 C-C chemokine receptor type 5 110 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096577&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479847 103994091 CHEMBL91374 ZINC26642282 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173640 CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 InChI=1S/C17H21NO2S/c1-3-15(16-10-6-4-7-11-16)14-18(2)21(19,20)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3/t15-/m1/s1 UYMXTEBBWFCBCL-OAHLLOKOSA-N 50096575 CHEMBL327880::N-Methyl-N-((S)-2-phenyl-butyl)-benzenesulfonamide C-C chemokine receptor type 5 4000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096575&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44324386 103994089 CHEMBL327880 ZINC26649445 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173641 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-36(33)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-,36?/m1/s1 ITHOBZKJMFCARD-LHTANEHXSA-N 50096540 (2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane::CHEMBL83338::N-{(S)-2-(3-chloro-phenyl)-4-[4-(1-oxo-spiro-(1-benzothiophene-3,4-piperidin-1-yl)]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096540&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481702 103994054 CHEMBL83338 ZINC14128065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173642 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccc(F)c(C)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H35FN2O2S/c1-23-21-26(13-14-29(23)30)27(22-31(2)35(33,34)28-11-7-4-8-12-28)17-20-32-18-15-25(16-19-32)24-9-5-3-6-10-24/h3-14,21,25,27H,15-20,22H2,1-2H3 BEWKHHCHGVKALU-UHFFFAOYSA-N 50096573 CHEMBL88219::N-[2-(4-Fluoro-3-methyl-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 180 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096573&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479872 103994087 CHEMBL88219 ZINC13479378 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173643 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc2OCOc2c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H34N2O5S2/c1-31(39(34,35)25-7-3-2-4-8-25)20-24(23-11-12-27-28(19-23)37-22-36-27)13-16-32-17-14-30(15-18-32)21-38(33)29-10-6-5-9-26(29)30/h2-12,19,24H,13-18,20-22H2,1H3/t24-,38?/m1/s1 BSJHGNMECRNXFH-WXKMRPJQSA-N 50096572 1'-[3-benzo[d][1,3]dioxol-5-yl-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL328339 C-C chemokine receptor type 5 200 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096572&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481866 103994086 CHEMBL328339 ZINC26648238 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173644 CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)24-9-3-2-4-10-24)21-23(25-11-5-7-13-27(25)30)15-18-32-19-16-29(17-20-32)22-36(33)28-14-8-6-12-26(28)29/h2-14,23H,15-22H2,1H3 WJWXIAWSIAEAJJ-UHFFFAOYSA-N 50096576 1'-[3-(2-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL89929 C-C chemokine receptor type 5 2000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096576&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479837 103994090 CHEMBL89929 ZINC26652197 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173645 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-7-3-2-4-8-26)21-24(23-11-13-25(30)14-12-23)15-18-32-19-16-29(17-20-32)22-36(33)28-10-6-5-9-27(28)29/h2-14,24H,15-22H2,1H3/t24-,36?/m1/s1 ZHANHEXWYCKKNE-LHTANEHXSA-N 50096581 1'-[3-(4-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL432040 C-C chemokine receptor type 5 270 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096581&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481861 103994095 CHEMBL432040 ZINC26641207 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173646 CN(CC(CCN1CCC(CC1)c1ccccc1)c1cccc(C)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H36N2O2S/c1-24-10-9-13-27(22-24)28(23-30(2)34(32,33)29-14-7-4-8-15-29)18-21-31-19-16-26(17-20-31)25-11-5-3-6-12-25/h3-15,22,26,28H,16-21,23H2,1-2H3 SYVROGQLFFWKJO-UHFFFAOYSA-N 50096578 CHEMBL88197::N-Methyl-N-[4-(4-phenyl-piperidin-1-yl)-2-m-tolyl-butyl]-benzenesulfonamide C-C chemokine receptor type 5 80 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096578&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479883 103994092 CHEMBL88197 ZINC13479356 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173647 CN(CC(CCN1CCC(CC1)c1ccccc1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccccc1 InChI=1S/C29H33F3N2O2S/c1-33(37(35,36)28-13-6-3-7-14-28)22-26(25-11-8-12-27(21-25)29(30,31)32)17-20-34-18-15-24(16-19-34)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3 BVIVJZQNXCSKJB-UHFFFAOYSA-N 50096579 CHEMBL91413::N-Methyl-N-[4-(4-phenyl-piperidin-1-yl)-2-(3-trifluoromethyl-phenyl)-butyl]-benzenesulfonamide C-C chemokine receptor type 5 500 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096579&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479860 103994093 CHEMBL91413 ZINC13479362 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173648 CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccsc1)S(=O)(=O)c1ccccc1 InChI=1S/C26H32N2O2S2/c1-27(32(29,30)26-10-6-3-7-11-26)20-24(25-15-19-31-21-25)14-18-28-16-12-23(13-17-28)22-8-4-2-5-9-22/h2-11,15,19,21,23-24H,12-14,16-18,20H2,1H3 XWXQHDZLNCSLKP-UHFFFAOYSA-N 50096580 CHEMBL91522::N-Methyl-N-[4-(4-phenyl-piperidin-1-yl)-2-thiophen-3-yl-butyl]-benzenesulfonamide C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096580&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479877 103994094 CHEMBL91522 ZINC26640364 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173649 CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1ccc2OCOc2c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H34N2O4S/c1-30(36(32,33)27-10-6-3-7-11-27)21-26(25-12-13-28-29(20-25)35-22-34-28)16-19-31-17-14-24(15-18-31)23-8-4-2-5-9-23/h2-13,20,24,26H,14-19,21-22H2,1H3/t26-/m1/s1 PPRARFATQIRNJH-AREMUKBSSA-N 50096582 CHEMBL330486::N-[(S)-2-Benzo[1,3]dioxol-5-yl-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 300 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096582&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 482150 103994096 CHEMBL330486 ZINC13479350 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173617 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-,37?/m1/s1 AKMPPEHIIYDFBC-FIPDIQNESA-N 50096515 (2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[1-oxo-2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL79504 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 471179 103994029 CHEMBL79504 ZINC26495576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173618 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-37(33,34)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 NTXTWVRSZIGFAM-XMMPIXPASA-N 50096559 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane::CHEMBL83107 C-C chemokine receptor type 5 15 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096559&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481703 103994073 CHEMBL83107 ZINC26498528 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173619 COc1ccc(cc1)C(CCN1CCC(CC1)c1ccccc1)CN(C)S(=O)(=O)c1ccccc1 InChI=1S/C29H36N2O3S/c1-30(35(32,33)29-11-7-4-8-12-29)23-27(25-13-15-28(34-2)16-14-25)19-22-31-20-17-26(18-21-31)24-9-5-3-6-10-24/h3-16,26-27H,17-23H2,1-2H3 GSCLLRMDSOCVGC-UHFFFAOYSA-N 50096556 CHEMBL92791::N-[2-(4-Methoxy-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(00)00639-9 10.7270/Q2668CFZ 11206474 Finke, PE; Meurer, LC; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Daugherty, BL; Gould, SL; DeMartino, JA; Siciliano, SJ; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096556&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 479866 103994070 CHEMBL92791 ZINC13479368 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186934 C[C@H](N1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 InChI=1S/C33H39N3O5S/c1-23-5-4-6-24(2)32(23)33(37)36-15-13-27(14-16-36)35-19-17-34(18-20-35)25(3)26-7-9-28(10-8-26)42(38,39)29-11-12-30-31(21-29)41-22-40-30/h4-12,21,25,27H,13-20,22H2,1-3H3/t25-/m0/s1 DSYMOXJOJWZVRV-VWLOTQADSA-N 50103078 CHEMBL67563::[4-(4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-piperazin-1-yl)-piperidin-1-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 442 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103078&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463517 103999425 CHEMBL67563 ZINC26259219 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186935 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 InChI=1S/C32H35Cl2N3O5S/c1-21-19-36(24-12-14-35(15-13-24)32(38)31-27(33)4-3-5-28(31)34)16-17-37(21)22(2)23-6-8-25(9-7-23)43(39,40)26-10-11-29-30(18-26)42-20-41-29/h3-11,18,21-22,24H,12-17,19-20H2,1-2H3/t21-,22-/m0/s1 XYCUIMUECGHTFV-VXKWHMMOSA-N 50103079 CHEMBL303503::[4-((S)-4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-(2,6-dichloro-phenyl)-methanone C-C chemokine receptor type 5 49 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103079&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462772 103999426 CHEMBL303503 ZINC26255080 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186936 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 InChI=1S/C33H40N4O5S/c1-22-5-4-6-29(34)32(22)33(38)35-15-13-26(14-16-35)36-17-18-37(23(2)20-36)24(3)25-7-9-27(10-8-25)43(39,40)28-11-12-30-31(19-28)42-21-41-30/h4-12,19,23-24,26H,13-18,20-21,34H2,1-3H3/t23-,24-/m0/s1 RAKTXXNBDRXTAX-ZEQRLZLVSA-N 50103080 (2-Amino-6-methyl-phenyl)-[4-((S)-4-{(S)-1-[4-(benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-methanone::CHEMBL69670 C-C chemokine receptor type 5 31 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103080&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 455656 103999427 CHEMBL69670 ZINC22451122 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186939 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Cc2ccc3OCOc3c2)cc1 InChI=1S/C35H43N3O3/c1-24-6-5-7-25(2)34(24)35(39)36-16-14-31(15-17-36)37-18-19-38(26(3)22-37)27(4)30-11-8-28(9-12-30)20-29-10-13-32-33(21-29)41-23-40-32/h5-13,21,26-27,31H,14-20,22-23H2,1-4H3/t26-,27-/m0/s1 JGAMGZZJGJQWBX-SVBPBHIXSA-N 50103083 (4-{(S)-4-[(S)-1-(4-Benzo[1,3]dioxol-5-ylmethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL264442 C-C chemokine receptor type 5 18 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103083&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456292 103999430 CHEMBL264442 ZINC22449793 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186945 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Cc2cccc(Cl)c2)cc1 InChI=1S/C34H42ClN3O/c1-24-7-5-8-25(2)33(24)34(39)36-17-15-32(16-18-36)37-19-20-38(26(3)23-37)27(4)30-13-11-28(12-14-30)21-29-9-6-10-31(35)22-29/h5-14,22,26-27,32H,15-21,23H2,1-4H3/t26-,27-/m0/s1 KCBPRDRJOWCGOP-SVBPBHIXSA-N 50103086 CHEMBL413972::[4-((S)-4-{(S)-1-[4-(3-Chloro-benzyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 45 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103086&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 461871 103999433 CHEMBL413972 ZINC26182406 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186946 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 InChI=1S/C32H37ClN4O5S/c1-21-19-36(24-12-14-35(15-13-24)32(38)31-27(33)4-3-5-28(31)34)16-17-37(21)22(2)23-6-8-25(9-7-23)43(39,40)26-10-11-29-30(18-26)42-20-41-29/h3-11,18,21-22,24H,12-17,19-20,34H2,1-2H3/t21-,22-/m0/s1 SWXHHKZYRFCOPH-VXKWHMMOSA-N 50103085 (2-Amino-6-chloro-phenyl)-[4-((S)-4-{(S)-1-[4-(benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-methanone::CHEMBL69642 C-C chemokine receptor type 5 32 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103085&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 455657 103999432 CHEMBL69642 ZINC26271107 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186950 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(Cc3ccc4OCOc4c3)cc2)CC1 InChI=1S/C33H39N3O3/c1-24-4-3-5-25(2)32(24)33(37)36-14-12-29(13-15-36)35-18-16-34(17-19-35)22-27-8-6-26(7-9-27)20-28-10-11-30-31(21-28)39-23-38-30/h3-11,21,29H,12-20,22-23H2,1-2H3 HTWLSEXOVXEWKJ-UHFFFAOYSA-N 50103081 CHEMBL63757::{4-[4-(4-Benzo[1,3]dioxol-5-ylmethyl-benzyl)-piperazin-1-yl]-piperidin-1-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 352 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103081&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474465 103999428 CHEMBL63757 ZINC26247808 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186952 C[C@H]1CN(CCN1Cc1ccc(Cc2ccc3OCOc3c2)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C34H41N3O3/c1-24-5-4-6-25(2)33(24)34(38)35-15-13-30(14-16-35)37-18-17-36(26(3)21-37)22-28-9-7-27(8-10-28)19-29-11-12-31-32(20-29)40-23-39-31/h4-12,20,26,30H,13-19,21-23H2,1-3H3/t26-/m0/s1 WHOCMELZNZWNHY-SANMLTNESA-N 50103084 CHEMBL66623::{4-[(S)-4-(4-Benzo[1,3]dioxol-5-ylmethyl-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 44 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103084&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456611 103999431 CHEMBL66623 ZINC26258006 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186953 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(F)cccc1F)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 InChI=1S/C32H35F2N3O5S/c1-21-19-36(24-12-14-35(15-13-24)32(38)31-27(33)4-3-5-28(31)34)16-17-37(21)22(2)23-6-8-25(9-7-23)43(39,40)26-10-11-29-30(18-26)42-20-41-29/h3-11,18,21-22,24H,12-17,19-20H2,1-2H3/t21-,22-/m0/s1 VSAYPYFFICXMGV-VXKWHMMOSA-N 50103082 CHEMBL67281::[4-((S)-4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-(2,6-difluoro-phenyl)-methanone C-C chemokine receptor type 5 230 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103082&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 461838 103999429 CHEMBL67281 ZINC26255071 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186954 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(Cc2ccc3OCOc3c2)cc1 InChI=1S/C34H41N3O3/c1-24-6-4-5-7-31(24)34(38)35-16-14-30(15-17-35)36-18-19-37(25(2)22-36)26(3)29-11-8-27(9-12-29)20-28-10-13-32-33(21-28)40-23-39-32/h4-13,21,25-26,30H,14-20,22-23H2,1-3H3/t25-,26-/m0/s1 CWRFGTWBBWBDRR-UIOOFZCWSA-N 50103090 (4-{(S)-4-[(S)-1-(4-Benzo[1,3]dioxol-5-ylmethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-o-tolyl-methanone::CHEMBL70124 C-C chemokine receptor type 5 90 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103090&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456319 103999437 CHEMBL70124 ZINC26268211 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186955 C[C@H]1CN(CCN1Cc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C33H39N3O5S/c1-23-5-4-6-24(2)32(23)33(37)34-15-13-27(14-16-34)36-18-17-35(25(3)20-36)21-26-7-9-28(10-8-26)42(38,39)29-11-12-30-31(19-29)41-22-40-30/h4-12,19,25,27H,13-18,20-22H2,1-3H3/t25-/m0/s1 CWYQMJKOOOYTLH-VWLOTQADSA-N 50103089 (4-{(S)-4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL69581 C-C chemokine receptor type 5 74 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103089&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463502 103999436 CHEMBL69581 ZINC26264949 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186956 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)CC1 InChI=1S/C32H37N3O5S/c1-23-4-3-5-24(2)31(23)32(36)35-14-12-26(13-15-35)34-18-16-33(17-19-34)21-25-6-8-27(9-7-25)41(37,38)28-10-11-29-30(20-28)40-22-39-29/h3-11,20,26H,12-19,21-22H2,1-2H3 XRFUNDKCONIYGQ-UHFFFAOYSA-N 50103091 (4-{4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl]-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL67172 C-C chemokine receptor type 5 >1300 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103091&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463493 103999438 CHEMBL67172 ZINC26262577 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186957 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 InChI=1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26+/m1/s1 UUUTYZGDRKVSOB-FTJBHMTQSA-N 50103087 CHEMBL305026::[4-((R)-4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 440 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103087&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456615 103999434 CHEMBL305026 ZINC26274460 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50186958 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 InChI=1S/C34H41N3O5S/c1-23-6-5-7-24(2)33(23)34(38)35-16-14-28(15-17-35)36-18-19-37(25(3)21-36)26(4)27-8-10-29(11-9-27)43(39,40)30-12-13-31-32(20-30)42-22-41-31/h5-13,20,25-26,28H,14-19,21-22H2,1-4H3/t25-,26-/m0/s1 UUUTYZGDRKVSOB-UIOOFZCWSA-N 50103088 CHEMBL70010::[4-((S)-4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 28 ChEMBL 10.1016/s0960-894x(01)00381-x 10.7270/Q2VQ320K 11514156 Tagat, JR; McCombie, SW; Steensma, RW; Lin, S; Nazareno, DV; Baroudy, B; Vantuno, N; Xu, S; Liu, J Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50103088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50103088&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456293 103999435 CHEMBL70010 ZINC22449798 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50173993 NCCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c1ccc2ccccc2c1 InChI=1S/C89H139N33O18S2/c90-35-5-3-17-57-73(128)115-62(18-4-6-36-91)82(137)122-43-13-24-68(122)80(135)118-65(45-50-27-33-55(124)34-28-50)77(132)114-59(20-9-39-106-86(97)98)72(127)112-60(22-11-42-109-89(103)140)74(129)119-66(78(133)116-63(83(138)139)23-12-41-108-88(101)102)47-141-142-48-67(79(134)117-64(44-49-25-31-54(123)32-26-49)76(131)113-58(71(126)111-57)19-8-38-105-85(95)96)120-81(136)69(53-30-29-51-14-1-2-15-52(51)46-53)121-75(130)61(21-10-40-107-87(99)100)110-70(125)56(92)16-7-37-104-84(93)94/h1-2,14-15,25-34,46,56-69,123-124H,3-13,16-24,35-45,47-48,90-92H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1 DRRZOHRPEXLSPD-UHMPCPRASA-N 50096735 CHEMBL2372983::Compound T140 C-C chemokine receptor type 5 0.180000 ChEMBL 10.1016/s0960-894x(00)00664-8 10.7270/Q2S181RD 11212110 Tamamura, H; Sugioka, M; Odagaki, Y; Omagari, A; Kan, Y; Oishi, S; Nakashima, H; Yamamoto, N; Peiper, SC; Hamanaka, N; Otaka, A; Fujii, N Kyoto University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73353307 103994214 CHEMBL2372983 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193759 Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1 InChI=1S/C33H35ClN4O2/c34-28-10-6-9-25(19-28)26(15-18-37-16-13-24(14-17-37)23-7-2-1-3-8-23)22-38-32(39)31(36-33(38)40)20-27-21-35-30-12-5-4-11-29(27)30/h1-12,19,21,24,26,35,39H,13-18,20,22H2,(H,36,40) HZXUXIODKRLTCM-UHFFFAOYSA-N 50106940 (R)-3-[2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-5-(1H-indol-3-ylmethyl)-imidazolidine-2,4-dione::CHEMBL106381 C-C chemokine receptor type 5 25.0 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931834 104002369 CHEMBL106381 ZINC26833520 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50015721 CCN1C(c2ccccc2C1=O)C(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 InChI=1S/C36H42N4O5/c1-4-22-39(35(42)45-26-27-15-17-30(18-16-27)40(43)44)29-19-23-37(24-20-29)25-21-36(3,28-11-7-6-8-12-28)33-31-13-9-10-14-32(31)34(41)38(33)5-2/h4,6-18,29,33H,1,5,19-26H2,2-3H3 YWKWFKXQGRARAD-UHFFFAOYSA-N 50106944 Allyl-{1-[3-(2-ethyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL107380 C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106944&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44335765 104002373 CHEMBL107380 ZINC26840712 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193791 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(C1Nc2ccccc2S(=O)(=O)N1)c1ccccc1 InChI=1S/C33H40N4O4S/c1-3-21-37(32(38)41-25-26-12-6-4-7-13-26)28-18-22-36(23-19-28)24-20-33(2,27-14-8-5-9-15-27)31-34-29-16-10-11-17-30(29)42(39,40)35-31/h3-17,28,31,34-35H,1,18-25H2,2H3 MJDPZVNLAHDUND-UHFFFAOYSA-N 50106953 Allyl-{1-[3-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-benzo[1,2,4]thiadiazin-3-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid benzyl ester::CHEMBL104867 C-C chemokine receptor type 5 55.0 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483345 104002382 CHEMBL104867 ZINC26835415 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188558 CN(C[C@@H](CCN1CCC(CC1)c1ccccc1C)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H35ClN2O2S/c1-23-9-6-7-14-29(23)24-15-18-32(19-16-24)20-17-26(25-10-8-11-27(30)21-25)22-31(2)35(33,34)28-12-4-3-5-13-28/h3-14,21,24,26H,15-20,22H2,1-2H3/t26-/m1/s1 SDPKOURSOIKXBE-AREMUKBSSA-N 50104211 CHEMBL84120::N-[(S)-2-(3-Chloro-phenyl)-4-(4-o-tolyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 400 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104211&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486595 104000170 CHEMBL84120 ZINC13479387 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188559 CN(C[C@@H](CCc1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H27Cl2NO2S/c1-32(35(33,34)27-10-6-3-7-11-27)21-26(25-18-19-28(30)29(31)20-25)17-14-22-12-15-24(16-13-22)23-8-4-2-5-9-23/h2-13,15-16,18-20,26H,14,17,21H2,1H3/t26-/m1/s1 RDNJBSKDHJDHFA-AREMUKBSSA-N 50104212 CHEMBL79882::N-[(S)-4-Biphenyl-4-yl-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104212&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461016 104000171 CHEMBL79882 ZINC26494330 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188560 CN(C[C@@H](CCN1CCC2(CC1)CNC(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H34ClN3O3S/c1-33(38(36,37)26-10-3-2-4-11-26)21-24(23-8-7-9-25(31)20-23)14-17-34-18-15-30(16-19-34)22-32-29(35)27-12-5-6-13-28(27)30/h2-13,20,24H,14-19,21-22H2,1H3,(H,32,35)/t24-/m1/s1 YCWXLGCHCDRVJP-XMMPIXPASA-N 50104213 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-1-oxospiro[1,2,3,4-tetrahydroisoquinoline-4,4'-(hexahydropyridine)]::CHEMBL83311 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104213&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482453 104000172 CHEMBL83311 ZINC26500192 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188561 CN(C[C@@H](CCc1ccc(cn1)-c1ccccc1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H26Cl2N2O2S/c1-32(35(33,34)26-10-6-3-7-11-26)20-24(22-14-17-27(29)28(30)18-22)13-16-25-15-12-23(19-31-25)21-8-4-2-5-9-21/h2-12,14-15,17-19,24H,13,16,20H2,1H3/t24-/m1/s1 ZGERUXCDYPCDEH-XMMPIXPASA-N 50104215 CHEMBL81692::N-[(S)-2-(3,4-Dichloro-phenyl)-4-(5-phenyl-pyridin-2-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104215&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461014 104000174 CHEMBL81692 ZINC26496253 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188562 CN(C[C@@H](CCN1CCC2(CCc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H35ClN2O2S/c1-32(36(34,35)28-11-3-2-4-12-28)23-26(25-9-7-10-27(31)22-25)15-19-33-20-17-30(18-21-33)16-14-24-8-5-6-13-29(24)30/h2-13,22,26H,14-21,23H2,1H3/t26-/m1/s1 SBUYTYYLJBFBPS-AREMUKBSSA-N 50104214 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL84374 C-C chemokine receptor type 5 180 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104214&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481711 104000173 CHEMBL84374 ZINC13479390 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188563 CN(C[C@@H](CCN1CCC2(CNc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H34ClN3O2S/c1-32(36(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-33-18-15-29(16-19-33)22-31-28-13-6-5-12-27(28)29/h2-13,20,24,31H,14-19,21-22H2,1H3/t24-/m1/s1 LFBWQMUZWRCTEN-XMMPIXPASA-N 50104216 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]::CHEMBL312808 C-C chemokine receptor type 5 50 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104216&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481712 104000175 CHEMBL312808 ZINC13479392 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188564 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-,37?/m1/s1 AKMPPEHIIYDFBC-FIPDIQNESA-N 50096515 (2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[1-oxo-2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL79504 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 471179 103994029 CHEMBL79504 ZINC26495576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188565 COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 InChI=1S/C29H35ClN2O3S/c1-31(36(33,34)27-11-4-3-5-12-27)22-25(24-9-8-10-26(30)21-24)17-20-32-18-15-23(16-19-32)28-13-6-7-14-29(28)35-2/h3-14,21,23,25H,15-20,22H2,1-2H3/t25-/m1/s1 HQINIQYECXZZQZ-RUZDIDTESA-N 50104217 CHEMBL431795::N-{(S)-2-(3-Chloro-phenyl)-4-[4-(2-methoxy-phenyl)-piperidin-1-yl]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 70 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104217&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478412 104000176 CHEMBL431795 ZINC13479388 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188566 CN(C[C@@H](CCN1CCC(CC1)c1ccc(F)cc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H32ClFN2O2S/c1-31(35(33,34)28-8-3-2-4-9-28)21-25(24-6-5-7-26(29)20-24)16-19-32-17-14-23(15-18-32)22-10-12-27(30)13-11-22/h2-13,20,23,25H,14-19,21H2,1H3/t25-/m1/s1 IVFIQYQKZVVEMA-RUZDIDTESA-N 50104218 CHEMBL83957::N-{(S)-2-(3-Chloro-phenyl)-4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 25 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104218&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478410 104000177 CHEMBL83957 ZINC26498532 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188567 CN(C[C@@H](CCN1CCC(CC1)c1cccc(c1)C(F)(F)F)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32ClF3N2O2S/c1-34(38(36,37)28-11-3-2-4-12-28)21-25(24-8-6-10-27(30)20-24)15-18-35-16-13-22(14-17-35)23-7-5-9-26(19-23)29(31,32)33/h2-12,19-20,22,25H,13-18,21H2,1H3/t25-/m1/s1 HJKLDWTVFUDTGJ-RUZDIDTESA-N 50104219 CHEMBL82838::N-{(S)-2-(3-Chloro-phenyl)-4-[4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 120 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104219&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481726 104000178 CHEMBL82838 ZINC26501173 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188568 CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1 BALBRXHVFNIXBS-AREMUKBSSA-N 50096557 CHEMBL312701::N-[(S)-2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide::N-[2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 30 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096557&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478307 103994071 CHEMBL312701 ZINC03916933 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188569 CN(C[C@@H](CCNCCc1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C25H29ClN2O2S/c1-28(31(29,30)25-13-6-3-7-14-25)20-23(22-11-8-12-24(26)19-22)16-18-27-17-15-21-9-4-2-5-10-21/h2-14,19,23,27H,15-18,20H2,1H3/t23-/m1/s1 HPYNERYCUSEAEW-HSZRJFAPSA-N 50104222 CHEMBL312231::N-[(S)-2-(3-Chloro-phenyl)-4-phenethylamino-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104222&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478471 104000181 CHEMBL312231 ZINC26496248 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188570 CN(C[C@@H](CCN1CCC2(Cc3ccccc3O2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O3S/c1-31(36(33,34)27-11-3-2-4-12-27)22-25(23-9-7-10-26(30)20-23)14-17-32-18-15-29(16-19-32)21-24-8-5-6-13-28(24)35-29/h2-13,20,25H,14-19,21-22H2,1H3/t25-/m1/s1 YFTCALDDQYKURH-RUZDIDTESA-N 50104221 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]furan-2,4'-(hexahydropyridine)]::CHEMBL83818 C-C chemokine receptor type 5 260 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104221&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478399 104000180 CHEMBL83818 ZINC13479393 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188571 CN(C[C@@H](CCN1CCC2(CC1)NC(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32ClN3O3S/c1-32(37(35,36)25-10-3-2-4-11-25)21-23(22-8-7-9-24(30)20-22)14-17-33-18-15-29(16-19-33)27-13-6-5-12-26(27)28(34)31-29/h2-13,20,23H,14-19,21H2,1H3,(H,31,34)/t23-/m1/s1 LONMDOWNWFZEMN-HSZRJFAPSA-N 50104220 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-3-oxospiro[2,3-dihydro-1H-isoindole-1,4'-(hexahydropyridine)]::CHEMBL310305 C-C chemokine receptor type 5 45 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104220&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481715 104000179 CHEMBL310305 ZINC26494068 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188572 CN(CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1)CCc1ccccc1 InChI=1S/C26H31ClN2O2S/c1-28(18-16-22-10-5-3-6-11-22)19-17-24(23-12-9-13-25(27)20-23)21-29(2)32(30,31)26-14-7-4-8-15-26/h3-15,20,24H,16-19,21H2,1-2H3/t24-/m1/s1 LDKUNYPURMWIMV-XMMPIXPASA-N 50104223 CHEMBL82207::N-[(S)-2-(3-Chloro-phenyl)-4-(methyl-phenethyl-amino)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104223&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478475 104000182 CHEMBL82207 ZINC26503394 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188573 CN(C[C@@H](CCN1CCC2(CSc3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O2S2/c1-31(36(33,34)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-35-28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 SJPBJQYASJSDFQ-XMMPIXPASA-N 50096541 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL79716 C-C chemokine receptor type 5 270 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096541&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481859 103994055 CHEMBL79716 ZINC26497904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188574 CN(C[C@@H](CCN1CCC2(CC(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H33ClN2O3S/c1-32(37(35,36)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-33-18-15-30(16-19-33)21-29(34)27-12-5-6-13-28(27)30/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 MWFPHTFCMXOFGJ-XMMPIXPASA-N 50104224 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]-3-oxospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-3-oxospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL82880 C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104224&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481713 104000183 CHEMBL82880 ZINC26501913 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188575 CN(C[C@@H](CCN1CCC2(CC1)N(C)C(=O)c1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H34ClN3O3S/c1-32(38(36,37)26-11-4-3-5-12-26)22-24(23-9-8-10-25(31)21-23)15-18-34-19-16-30(17-20-34)28-14-7-6-13-27(28)29(35)33(30)2/h3-14,21,24H,15-20,22H2,1-2H3/t24-/m1/s1 WFIFDHURFZVODR-XMMPIXPASA-N 50104225 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-2-methyl-3-oxospiro[2,3-dihydro-1H-isoindole-1,4'-(hexahydropyridine)]::CHEMBL83745 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104225&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481716 104000184 CHEMBL83745 ZINC26500184 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188576 CN(C[C@@H](CCN1CCC2(CC(O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H35ClN2O3S/c1-32(37(35,36)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-33-18-15-30(16-19-33)21-29(34)27-12-5-6-13-28(27)30/h2-13,20,24,29,34H,14-19,21-22H2,1H3/t24-,29?/m1/s1 SMDKOMCVXGUBNW-OEXUWWALSA-N 50104226 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-3-hydroxyspiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL79566 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104226&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481714 104000185 CHEMBL79566 ZINC26494299 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188577 CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc21)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H34ClN3O3S/c1-33(38(36,37)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-34-18-15-30(16-19-34)21-29(35)32-28-13-6-5-12-27(28)30/h2-13,20,24H,14-19,21-22H2,1H3,(H,32,35)/t24-/m1/s1 NMYAJBAKQIGAGY-XMMPIXPASA-N 50104227 1-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-2'-oxospiro[hexahydropyridine-4,4'-(1',2',3',4'-tetrahydroquinoline)]::CHEMBL83683 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104227&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482454 104000186 CHEMBL83683 ZINC26501418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188578 CN(C[C@@H](CCN1CCN(CC1)c1ccccc1C)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H34ClN3O2S/c1-23-9-6-7-14-28(23)32-19-17-31(18-20-32)16-15-25(24-10-8-11-26(29)21-24)22-30(2)35(33,34)27-12-4-3-5-13-27/h3-14,21,25H,15-20,22H2,1-2H3/t25-/m1/s1 ASNNTFFABYDNRF-RUZDIDTESA-N 50104228 CHEMBL79369::N-[(S)-2-(3-Chloro-phenyl)-4-(4-o-tolyl-piperazin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 2400 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104228&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482456 104000187 CHEMBL79369 ZINC13479385 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188579 CN(C[C@@H](CCN1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C31H39ClN2O2S/c1-33(37(35,36)31-16-6-3-7-17-31)25-29(28-14-9-15-30(32)24-28)20-23-34-21-18-27(19-22-34)13-8-12-26-10-4-2-5-11-26/h2-7,9-11,14-17,24,27,29H,8,12-13,18-23,25H2,1H3/t29-/m1/s1 CAKYRGCYMHIWJD-GDLZYMKVSA-N 50104229 CHEMBL310780::N-{(S)-2-(3-Chloro-phenyl)-4-[4-(3-phenyl-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104229&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478414 104000188 CHEMBL310780 ZINC26503686 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188580 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-36(33)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-,36?/m1/s1 ITHOBZKJMFCARD-LHTANEHXSA-N 50096540 (2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane::CHEMBL83338::N-{(S)-2-(3-chloro-phenyl)-4-[4-(1-oxo-spiro-(1-benzothiophene-3,4-piperidin-1-yl)]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096540&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481702 103994054 CHEMBL83338 ZINC14128065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188581 CN(C[C@@H](CCN1CCN(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C27H32ClN3O2S/c1-29(34(32,33)27-13-6-3-7-14-27)22-24(23-9-8-10-25(28)21-23)15-16-30-17-19-31(20-18-30)26-11-4-2-5-12-26/h2-14,21,24H,15-20,22H2,1H3/t24-/m1/s1 XUUJYYZQRHZSHJ-XMMPIXPASA-N 50104230 CHEMBL79697::N-[(S)-2-(3-Chloro-phenyl)-4-(4-phenyl-piperazin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 700 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104230&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481727 104000189 CHEMBL79697 ZINC13479383 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188582 CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H35ClN2O2S/c1-31(35(33,34)29-13-6-3-7-14-29)23-27(26-11-8-12-28(30)22-26)17-20-32-18-15-25(16-19-32)21-24-9-4-2-5-10-24/h2-14,22,25,27H,15-21,23H2,1H3/t27-/m1/s1 HRLAPQOFHQTVEC-HHHXNRCGSA-N 50104231 CHEMBL79958::N-[(S)-4-(4-Benzyl-piperidin-1-yl)-2-(3-chloro-phenyl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 250 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104231&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478413 104000190 CHEMBL79958 ZINC26497363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188583 CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-37(33,34)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 NTXTWVRSZIGFAM-XMMPIXPASA-N 50096559 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane::CHEMBL83107 C-C chemokine receptor type 5 15 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096559&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481703 103994073 CHEMBL83107 ZINC26498528 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188584 CN(C[C@@H](CCN1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H37ClN2O2S/c1-32(36(34,35)30-13-6-3-7-14-30)24-28(27-11-8-12-29(31)23-27)19-22-33-20-17-26(18-21-33)16-15-25-9-4-2-5-10-25/h2-14,23,26,28H,15-22,24H2,1H3/t28-/m1/s1 GILLIBKHPUQVNU-MUUNZHRXSA-N 50104233 CHEMBL83882::N-[(S)-2-(3-Chloro-phenyl)-4-(4-phenethyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 65 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104233&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482457 104000192 CHEMBL83882 ZINC26504044 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188585 CN(C[C@@H](CCN1CCC(CC1)c1ccc(Cl)cc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H32Cl2N2O2S/c1-31(35(33,34)28-8-3-2-4-9-28)21-25(24-6-5-7-27(30)20-24)16-19-32-17-14-23(15-18-32)22-10-12-26(29)13-11-22/h2-13,20,23,25H,14-19,21H2,1H3/t25-/m1/s1 SDFMZFWORWTSHN-RUZDIDTESA-N 50104232 CHEMBL83963::N-{(S)-2-(3-Chloro-phenyl)-4-[4-(4-chloro-phenyl)-piperidin-1-yl]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 200 ChEMBL 10.1016/s0960-894x(01)00491-7 10.7270/Q26T0KWF 11549449 Finke, PE; Meurer, LC; Oates, B; Shah, SK; Loebach, JL; Mills, SG; MacCoss, M; Castonguay, L; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104232&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478409 104000191 CHEMBL83963 ZINC26498536 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188586 CCCN(C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)N[C@@H](C)c1ccccc1 InChI=1S/C34H46N4O3S/c1-4-23-38(34(39)35-28(2)29-14-8-5-9-15-29)32-21-25-37(26-22-32)24-20-31(30-16-10-6-11-17-30)27-36(3)42(40,41)33-18-12-7-13-19-33/h5-19,28,31-32H,4,20-27H2,1-3H3,(H,35,39)/t28-,31?/m0/s1 ULYSBKOLJAVXSU-NPHAVVRNSA-N 50104234 CHEMBL83113::N-Methyl-N-(2-phenyl-4-{4-[3-((S)-1-phenyl-ethyl)-1-propyl-ureido]-piperidin-1-yl}-butyl)-benzenesulfonamide C-C chemokine receptor type 5 75 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104234&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478447 104000193 CHEMBL83113 ZINC26500154 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188587 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C32H41N3O4S/c1-3-35(32(36)39-26-27-13-7-4-8-14-27)30-20-23-34(24-21-30)22-19-29(28-15-9-5-10-16-28)25-33(2)40(37,38)31-17-11-6-12-18-31/h4-18,29-30H,3,19-26H2,1-2H3/t29-/m1/s1 ZXGGAWLLOZVQTA-GDLZYMKVSA-N 50104235 CHEMBL85086::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104235&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275829 104000194 CHEMBL85086 ZINC26567668 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188588 COC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 InChI=1S/C31H45N3O4S/c1-32(39(36,37)30-16-10-5-11-17-30)25-28(27-14-8-4-9-15-27)18-21-33-22-19-29(20-23-33)34(31(35)38-2)24-26-12-6-3-7-13-26/h4-5,8-11,14-17,26,28-29H,3,6-7,12-13,18-25H2,1-2H3/t28-/m1/s1 RNKVVXJENIMACX-MUUNZHRXSA-N 50104236 CHEMBL80043::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-cyclohexylmethyl-carbamic acid methyl ester C-C chemokine receptor type 5 6 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104236&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461713 104000195 CHEMBL80043 ZINC26496312 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188589 CCN(C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(C)=O InChI=1S/C26H37N3O3S/c1-4-29(22(2)30)25-16-19-28(20-17-25)18-15-24(23-11-7-5-8-12-23)21-27(3)33(31,32)26-13-9-6-10-14-26/h5-14,24-25H,4,15-21H2,1-3H3/t24-/m0/s1 GYZLSKRUVXZPIG-DEOSSOPVSA-N 50104237 CHEMBL430818::N-{1-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-N-ethyl-acetamide C-C chemokine receptor type 5 120 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104237&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461623 104000196 CHEMBL430818 ZINC26498067 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188591 COC(=O)NC1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 InChI=1S/C24H33N3O4S/c1-26(32(29,30)23-11-7-4-8-12-23)19-21(20-9-5-3-6-10-20)13-16-27-17-14-22(15-18-27)25-24(28)31-2/h3-12,21-22H,13-19H2,1-2H3,(H,25,28)/t21-/m1/s1 AAOGRFLITNLSTM-OAQYLSRUSA-N 50104239 CHEMBL310369::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid methyl ester C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104239&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461785 104000198 CHEMBL310369 ZINC26499712 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188592 CCCN(C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)c1ccccc1 InChI=1S/C32H41N3O3S/c1-3-22-35(32(36)28-15-9-5-10-16-28)30-20-24-34(25-21-30)23-19-29(27-13-7-4-8-14-27)26-33(2)39(37,38)31-17-11-6-12-18-31/h4-18,29-30H,3,19-26H2,1-2H3/t29-/m0/s1 QQAHRLRNHDSDDK-LJAQVGFWSA-N 50104240 CHEMBL82879::N-{1-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-N-propyl-benzamide C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104240&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461831 104000199 CHEMBL82879 ZINC26501818 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188593 CN(C[C@H](CCN1CCC(CC1)N(CC=C)C(=O)Cc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H40N4O5S/c1-3-21-36(33(38)25-27-14-16-31(17-15-27)37(39)40)30-19-23-35(24-20-30)22-18-29(28-10-6-4-7-11-28)26-34(2)43(41,42)32-12-8-5-9-13-32/h3-17,29-30H,1,18-26H2,2H3/t29-/m0/s1 CPNHQPNGFYHKNL-LJAQVGFWSA-N 50104241 CHEMBL311248::N-Allyl-N-{1-[(R)-4-(benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-2-(4-nitro-phenyl)-acetamide C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104241&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461684 104000200 CHEMBL311248 ZINC26503346 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188594 COC(=O)N(Cc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 InChI=1S/C31H39N3O4S/c1-32(39(36,37)30-16-10-5-11-17-30)25-28(27-14-8-4-9-15-27)18-21-33-22-19-29(20-23-33)34(31(35)38-2)24-26-12-6-3-7-13-26/h3-17,28-29H,18-25H2,1-2H3/t28-/m1/s1 DCZWOGGQUQFEII-MUUNZHRXSA-N 50104242 CHEMBL79315::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-benzyl-carbamic acid methyl ester C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104242&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461560 104000201 CHEMBL79315 ZINC26495976 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188595 CCOC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 InChI=1S/C32H47N3O4S/c1-3-39-32(36)35(25-27-13-7-4-8-14-27)30-20-23-34(24-21-30)22-19-29(28-15-9-5-10-16-28)26-33(2)40(37,38)31-17-11-6-12-18-31/h5-6,9-12,15-18,27,29-30H,3-4,7-8,13-14,19-26H2,1-2H3/t29-/m1/s1 WMHAPICIKIEXDX-GDLZYMKVSA-N 50104243 CHEMBL312945::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-cyclohexylmethyl-carbamic acid ethyl ester C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104243&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461603 104000202 CHEMBL312945 ZINC26500798 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188596 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-,37?/m1/s1 AKMPPEHIIYDFBC-FIPDIQNESA-N 50096515 (2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[1-oxo-2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL79504 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 471179 103994029 CHEMBL79504 ZINC26495576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188597 CCCN(C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)N[C@H](C)c1ccccc1 InChI=1S/C34H46N4O3S/c1-4-23-38(34(39)35-28(2)29-14-8-5-9-15-29)32-21-25-37(26-22-32)24-20-31(30-16-10-6-11-17-30)27-36(3)42(40,41)33-18-12-7-13-19-33/h5-19,28,31-32H,4,20-27H2,1-3H3,(H,35,39)/t28-,31?/m1/s1 ULYSBKOLJAVXSU-ZZTVPSNHSA-N 50104244 CHEMBL79770::N-Methyl-N-(2-phenyl-4-{4-[3-((R)-1-phenyl-ethyl)-1-propyl-ureido]-piperidin-1-yl}-butyl)-benzenesulfonamide C-C chemokine receptor type 5 6 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104244&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478446 104000203 CHEMBL79770 ZINC26505355 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188599 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OC InChI=1S/C27H39N3O4S/c1-4-18-30(27(31)34-3)25-16-20-29(21-17-25)19-15-24(23-11-7-5-8-12-23)22-28(2)35(32,33)26-13-9-6-10-14-26/h5-14,24-25H,4,15-22H2,1-3H3/t24-/m1/s1 LQACCDOIKFQVHE-XMMPIXPASA-N 50104245 CHEMBL79907::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid methyl ester C-C chemokine receptor type 5 20 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104245&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461522 104000204 CHEMBL79907 ZINC26497179 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188600 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OC(C)(C)C InChI=1S/C29H43N3O4S/c1-6-32(28(33)36-29(2,3)4)26-18-21-31(22-19-26)20-17-25(24-13-9-7-10-14-24)23-30(5)37(34,35)27-15-11-8-12-16-27/h7-16,25-26H,6,17-23H2,1-5H3/t25-/m1/s1 KQUMJWICVOFFEQ-RUZDIDTESA-N 50104246 CHEMBL79930::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid tert-butyl ester C-C chemokine receptor type 5 30.0 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104246&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461561 104000205 CHEMBL79930 ZINC13479395 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188601 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H42ClN3O4S/c1-3-20-37(33(38)41-26-27-11-6-4-7-12-27)31-18-22-36(23-19-31)21-17-29(28-13-10-14-30(34)24-28)25-35(2)42(39,40)32-15-8-5-9-16-32/h4-16,24,29,31H,3,17-23,25-26H2,1-2H3/t29-/m1/s1 VHTGHUBHIIFLLJ-GDLZYMKVSA-N 50104247 CHEMBL313216::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-propyl-carbamic acid benzyl ester C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104247&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486602 104000206 CHEMBL313216 ZINC26499535 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188603 CCCN(C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)CCc1ccccc1 InChI=1S/C34H45N3O3S/c1-3-24-37(34(38)20-19-29-13-7-4-8-14-29)32-22-26-36(27-23-32)25-21-31(30-15-9-5-10-16-30)28-35(2)41(39,40)33-17-11-6-12-18-33/h4-18,31-32H,3,19-28H2,1-2H3/t31-/m0/s1 YGMVKHHAYZQLBJ-HKBQPEDESA-N 50104248 CHEMBL82786::N-{1-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-3-phenyl-N-propyl-propionamide C-C chemokine receptor type 5 20 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104248&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461835 104000207 CHEMBL82786 ZINC26500162 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188604 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1 InChI=1S/C32H40ClN3O4S/c1-3-36(32(37)40-25-26-11-6-4-7-12-26)30-18-21-35(22-19-30)20-17-28(27-13-10-14-29(33)23-27)24-34(2)41(38,39)31-15-8-5-9-16-31/h4-16,23,28,30H,3,17-22,24-25H2,1-2H3/t28-/m1/s1 KWILXWLMEXXFLT-MUUNZHRXSA-N 50104249 CHEMBL81252::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester::{1-[4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104249&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486601 104000208 CHEMBL81252 ZINC26494291 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188606 CN(C[C@@H](CCN1CCC(CC1)N(C)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C31H39N3O4S/c1-32(39(36,37)30-16-10-5-11-17-30)24-28(27-14-8-4-9-15-27)18-21-34-22-19-29(20-23-34)33(2)31(35)38-25-26-12-6-3-7-13-26/h3-17,28-29H,18-25H2,1-2H3/t28-/m1/s1 NWQXLBPAPDKSFG-MUUNZHRXSA-N 50104252 CHEMBL309619::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-methyl-carbamic acid benzyl ester C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104252&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461476 104000211 CHEMBL309619 ZINC26502168 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188607 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)Oc1ccccc1 InChI=1S/C31H39N3O4S/c1-3-34(31(35)38-29-15-9-5-10-16-29)28-20-23-33(24-21-28)22-19-27(26-13-7-4-8-14-26)25-32(2)39(36,37)30-17-11-6-12-18-30/h4-18,27-28H,3,19-25H2,1-2H3/t27-/m1/s1 IEWHJUCUTWJJSZ-HHHXNRCGSA-N 50104250 CHEMBL311532::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid phenyl ester C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104250&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461628 104000209 CHEMBL311532 ZINC26506248 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188608 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H43N3O4S/c1-3-22-36(33(37)40-27-28-13-7-4-8-14-28)31-20-24-35(25-21-31)23-19-30(29-15-9-5-10-16-29)26-34(2)41(38,39)32-17-11-6-12-18-32/h4-18,30-31H,3,19-27H2,1-2H3/t30-/m1/s1 NESOUKIOVGKPKU-SSEXGKCCSA-N 50104254 CHEMBL82048::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid benzyl ester C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104254&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461707 104000213 CHEMBL82048 ZINC26501742 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188609 CN(C[C@@H](CCN1CCC2(CC(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C30H33ClN2O3S/c1-32(37(35,36)26-10-3-2-4-11-26)22-24(23-8-7-9-25(31)20-23)14-17-33-18-15-30(16-19-33)21-29(34)27-12-5-6-13-28(27)30/h2-13,20,24H,14-19,21-22H2,1H3/t24-/m1/s1 MWFPHTFCMXOFGJ-XMMPIXPASA-N 50104224 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]-3-oxospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]-3-oxospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL82880 C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104224&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481713 104000183 CHEMBL82880 ZINC26501913 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188610 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H34N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3/t25-,35?/m1/s1 VAJOGYQUKHOXAR-SUYFMZKJSA-N 50104255 2-(phenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::CHEMBL81719 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104255&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461494 104000214 CHEMBL81719 ZINC26493307 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188611 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccc(C)cc1 InChI=1S/C34H45N3O4S/c1-4-22-37(34(38)41-27-29-17-15-28(2)16-18-29)32-20-24-36(25-21-32)23-19-31(30-11-7-5-8-12-30)26-35(3)42(39,40)33-13-9-6-10-14-33/h5-18,31-32H,4,19-27H2,1-3H3/t31-/m1/s1 MBAQWZPBZUGQNO-WJOKGBTCSA-N 50104253 CHEMBL311261::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid 4-methyl-benzyl ester C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104253&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461275 104000212 CHEMBL311261 ZINC26495284 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188612 CCCN(C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccccc1 InChI=1S/C33H43N3O3S/c1-3-22-36(33(37)26-28-13-7-4-8-14-28)31-20-24-35(25-21-31)23-19-30(29-15-9-5-10-16-29)27-34(2)40(38,39)32-17-11-6-12-18-32/h4-18,30-31H,3,19-27H2,1-2H3/t30-/m0/s1 LQKUTPDIDRQGMQ-PMERELPUSA-N 50104256 CHEMBL83057::N-{1-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-2-phenyl-N-propyl-acetamide C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104256&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461817 104000215 CHEMBL83057 ZINC26500381 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188613 CCCN(C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1 InChI=1S/C33H44N4O3S/c1-3-22-37(33(38)34-26-28-13-7-4-8-14-28)31-20-24-36(25-21-31)23-19-30(29-15-9-5-10-16-29)27-35(2)41(39,40)32-17-11-6-12-18-32/h4-18,30-31H,3,19-27H2,1-2H3,(H,34,38) XRRKFLBCLJVILR-UHFFFAOYSA-N 50104260 CHEMBL79530::N-{4-[4-(3-Benzyl-1-propyl-ureido)-piperidin-1-yl]-2-phenyl-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 2.5 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104260&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478445 104000219 CHEMBL79530 ZINC26496030 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188614 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccc(cc1)C(F)(F)F InChI=1S/C34H42F3N3O4S/c1-3-21-40(33(41)44-26-27-14-16-30(17-15-27)34(35,36)37)31-19-23-39(24-20-31)22-18-29(28-10-6-4-7-11-28)25-38(2)45(42,43)32-12-8-5-9-13-32/h4-17,29,31H,3,18-26H2,1-2H3/t29-/m1/s1 LLKSCDDQBXZAHO-GDLZYMKVSA-N 50104263 CHEMBL311052::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid 4-trifluoromethyl-benzyl ester C-C chemokine receptor type 5 6 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104263&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461274 104000222 CHEMBL311052 ZINC26497718 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188615 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1cccc(C)c1 InChI=1S/C34H45N3O4S/c1-4-21-37(34(38)41-27-29-13-11-12-28(2)25-29)32-19-23-36(24-20-32)22-18-31(30-14-7-5-8-15-30)26-35(3)42(39,40)33-16-9-6-10-17-33/h5-17,25,31-32H,4,18-24,26-27H2,1-3H3/t31-/m1/s1 JVWVDAKGTFBARH-WJOKGBTCSA-N 50104261 CHEMBL83823::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid 3-methyl-benzyl ester C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104261&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461699 104000220 CHEMBL83823 ZINC26504060 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188616 CN(C[C@@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H40N4O6S/c1-3-21-36(33(38)43-26-27-14-16-31(17-15-27)37(39)40)30-19-23-35(24-20-30)22-18-29(28-10-6-4-7-11-28)25-34(2)44(41,42)32-12-8-5-9-13-32/h3-17,29-30H,1,18-26H2,2H3/t29-/m1/s1 OILSIBXMXYJNPI-GDLZYMKVSA-N 50104262 Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL83335 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104262&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11467704 104000221 CHEMBL83335 ZINC26502224 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188618 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-36(33)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-,36?/m1/s1 ITHOBZKJMFCARD-LHTANEHXSA-N 50096540 (2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane::CHEMBL83338::N-{(S)-2-(3-chloro-phenyl)-4-[4-(1-oxo-spiro-(1-benzothiophene-3,4-piperidin-1-yl)]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096540&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481702 103994054 CHEMBL83338 ZINC14128065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188619 CN(C[C@@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C33H39ClN4O6S/c1-3-19-37(33(39)44-25-26-12-14-31(15-13-26)38(40)41)30-17-21-36(22-18-30)20-16-28(27-8-7-9-29(34)23-27)24-35(2)45(42,43)32-10-5-4-6-11-32/h3-15,23,28,30H,1,16-22,24-25H2,2H3/t28-/m1/s1 IGLPWWWATHZEEH-MUUNZHRXSA-N 50104258 Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL311549 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104258&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21147749 104000217 CHEMBL311549 ZINC26501952 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188620 CCCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C34H45N3O4S/c1-3-4-23-37(34(38)41-28-29-14-8-5-9-15-29)32-21-25-36(26-22-32)24-20-31(30-16-10-6-11-17-30)27-35(2)42(39,40)33-18-12-7-13-19-33/h5-19,31-32H,3-4,20-28H2,1-2H3/t31-/m1/s1 XEUUSWNADIRPSG-WJOKGBTCSA-N 50104259 CHEMBL432182::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-butyl-carbamic acid benzyl ester C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104259&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461677 104000218 CHEMBL432182 ZINC26568054 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188621 CN(C[C@H](CCN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H41N5O5S/c1-3-21-37(33(39)34-25-27-14-16-31(17-15-27)38(40)41)30-19-23-36(24-20-30)22-18-29(28-10-6-4-7-11-28)26-35(2)44(42,43)32-12-8-5-9-13-32/h3-17,29-30H,1,18-26H2,2H3,(H,34,39)/t29-/m0/s1 SNHKGAGBSVQBFE-LJAQVGFWSA-N 50104257 CHEMBL432360::N-((R)-4-{4-[1-Allyl-3-(4-nitro-benzyl)-ureido]-piperidin-1-yl}-2-phenyl-butyl)-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 0.750000 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104257&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461741 104000216 CHEMBL432360 ZINC26501828 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188623 CNC(=O)NC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 InChI=1S/C24H34N4O3S/c1-25-24(29)26-22-14-17-28(18-15-22)16-13-21(20-9-5-3-6-10-20)19-27(2)32(30,31)23-11-7-4-8-12-23/h3-12,21-22H,13-19H2,1-2H3,(H2,25,26,29) RKVDJYGMZAFHDI-UHFFFAOYSA-N 50104265 CHEMBL83773::N-Methyl-N-{4-[4-(3-methyl-ureido)-piperidin-1-yl]-2-phenyl-butyl}-benzenesulfonamide C-C chemokine receptor type 5 1000 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104265&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478439 104000224 CHEMBL83773 ZINC26503673 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188624 CCCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OC InChI=1S/C28H41N3O4S/c1-4-5-19-31(28(32)35-3)26-17-21-30(22-18-26)20-16-25(24-12-8-6-9-13-24)23-29(2)36(33,34)27-14-10-7-11-15-27/h6-15,25-26H,4-5,16-23H2,1-3H3/t25-/m1/s1 FCZXEHBROANXDI-RUZDIDTESA-N 50104266 CHEMBL431009::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-butyl-carbamic acid methyl ester C-C chemokine receptor type 5 15 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104266&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461521 104000225 CHEMBL431009 ZINC26497175 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188625 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OC InChI=1S/C26H37N3O4S/c1-4-29(26(30)33-3)24-16-19-28(20-17-24)18-15-23(22-11-7-5-8-12-22)21-27(2)34(31,32)25-13-9-6-10-14-25/h5-14,23-24H,4,15-21H2,1-3H3/t23-/m1/s1 AWHDRJBXLAKQNX-HSZRJFAPSA-N 50104271 CHEMBL310645::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid methyl ester C-C chemokine receptor type 5 40 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104271&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461513 104000230 CHEMBL310645 ZINC26504173 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188626 CCCN(C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)N(C)Cc1ccccc1 InChI=1S/C34H46N4O3S/c1-4-23-38(34(39)35(2)27-29-14-8-5-9-15-29)32-21-25-37(26-22-32)24-20-31(30-16-10-6-11-17-30)28-36(3)42(40,41)33-18-12-7-13-19-33/h5-19,31-32H,4,20-28H2,1-3H3 KAPOEWFIQGCQKJ-UHFFFAOYSA-N 50104269 CHEMBL309447::N-{4-[4-(3-Benzyl-3-methyl-1-propyl-ureido)-piperidin-1-yl]-2-phenyl-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 20 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104269&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478448 104000228 CHEMBL309447 ZINC26497187 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188627 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccc(cc1)C(N)=O InChI=1S/C34H43ClN4O5S/c1-3-19-39(34(41)44-25-26-12-14-27(15-13-26)33(36)40)31-17-21-38(22-18-31)20-16-29(28-8-7-9-30(35)23-28)24-37(2)45(42,43)32-10-5-4-6-11-32/h4-15,23,29,31H,3,16-22,24-25H2,1-2H3,(H2,36,40)/t29-/m1/s1 KIFOBRKKDFKEIA-GDLZYMKVSA-N 50104270 CHEMBL81245::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-propyl-carbamic acid 4-carbamoyl-benzyl ester C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104270&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486607 104000229 CHEMBL81245 ZINC26487883 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188628 CN(C[C@@H](CCN1CCC(CC1)NC(=O)OC(C)(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C27H39N3O4S/c1-27(2,3)34-26(31)28-24-16-19-30(20-17-24)18-15-23(22-11-7-5-8-12-22)21-29(4)35(32,33)25-13-9-6-10-14-25/h5-14,23-24H,15-21H2,1-4H3,(H,28,31)/t23-/m1/s1 SBGKQWHYEYPEJC-HSZRJFAPSA-N 50104267 CHEMBL421527::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid tert-butyl ester C-C chemokine receptor type 5 1000 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104267&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461790 104000226 CHEMBL421527 ZINC26501090 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188629 CCCN(C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1 InChI=1S/C32H42N4O3S/c1-3-22-36(32(37)33-29-15-9-5-10-16-29)30-20-24-35(25-21-30)23-19-28(27-13-7-4-8-14-27)26-34(2)40(38,39)31-17-11-6-12-18-31/h4-18,28,30H,3,19-26H2,1-2H3,(H,33,37) CUXOTFRTNXVNGO-UHFFFAOYSA-N 50104264 CHEMBL445836::N-Methyl-N-{2-phenyl-4-[4-(3-phenyl-1-propyl-ureido)-piperidin-1-yl]-butyl}-benzenesulfonamide C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104264&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478444 104000223 CHEMBL445836 ZINC26498144 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188630 CN(C[C@@H](CCN1CCC(CC1)N(CC1CCCCC1)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C37H49N3O4S/c1-38(45(42,43)36-20-12-5-13-21-36)29-34(33-18-10-4-11-19-33)22-25-39-26-23-35(24-27-39)40(28-31-14-6-2-7-15-31)37(41)44-30-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,34-35H,2,6-7,14-15,22-30H2,1H3/t34-/m1/s1 NANYKPSEZCGDPM-UUWRZZSWSA-N 50104272 CHEMBL84351::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-cyclohexylmethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 800 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104272&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461804 104000231 CHEMBL84351 ZINC26501899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188631 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1cccc(c1)C(N)=O InChI=1S/C34H43ClN4O5S/c1-3-18-39(34(41)44-25-26-9-7-11-28(22-26)33(36)40)31-16-20-38(21-17-31)19-15-29(27-10-8-12-30(35)23-27)24-37(2)45(42,43)32-13-5-4-6-14-32/h4-14,22-23,29,31H,3,15-21,24-25H2,1-2H3,(H2,36,40)/t29-/m1/s1 AETDPCXHZHTWQD-GDLZYMKVSA-N 50104273 CHEMBL310106::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-propyl-carbamic acid 3-carbamoyl-benzyl ester C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104273&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486605 104000232 CHEMBL310106 ZINC26495071 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188632 CN(CC(CCN1CCC(CC1)NC(=O)NCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C30H38N4O3S/c1-33(38(36,37)29-15-9-4-10-16-29)24-27(26-13-7-3-8-14-26)17-20-34-21-18-28(19-22-34)32-30(35)31-23-25-11-5-2-6-12-25/h2-16,27-28H,17-24H2,1H3,(H2,31,32,35) AARBZINJGYTIMT-UHFFFAOYSA-N 50104268 CHEMBL309922::N-{4-[4-(3-Benzyl-ureido)-piperidin-1-yl]-2-phenyl-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104268&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478440 104000227 CHEMBL309922 ZINC13479397 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188633 CCOC(=O)N(CC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 InChI=1S/C27H39N3O4S/c1-4-30(27(31)34-5-2)25-17-20-29(21-18-25)19-16-24(23-12-8-6-9-13-23)22-28(3)35(32,33)26-14-10-7-11-15-26/h6-15,24-25H,4-5,16-22H2,1-3H3/t24-/m1/s1 FUUQBKMKRDQXBE-XMMPIXPASA-N 50104278 CHEMBL84029::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid ethyl ester C-C chemokine receptor type 5 40 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104278&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461581 104000237 CHEMBL84029 ZINC26498441 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188634 CCN(C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)NC InChI=1S/C26H38N4O3S/c1-4-30(26(31)27-2)24-16-19-29(20-17-24)18-15-23(22-11-7-5-8-12-22)21-28(3)34(32,33)25-13-9-6-10-14-25/h5-14,23-24H,4,15-21H2,1-3H3,(H,27,31) LNVYOJZDFJEMLZ-UHFFFAOYSA-N 50104279 CHEMBL84268::N-{4-[4-(1-Ethyl-3-methyl-ureido)-piperidin-1-yl]-2-phenyl-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 120 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104279&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486608 104000238 CHEMBL84268 ZINC26503667 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188635 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCC1CCCCC1 InChI=1S/C32H47N3O4S/c1-3-35(32(36)39-26-27-13-7-4-8-14-27)30-20-23-34(24-21-30)22-19-29(28-15-9-5-10-16-28)25-33(2)40(37,38)31-17-11-6-12-18-31/h5-6,9-12,15-18,27,29-30H,3-4,7-8,13-14,19-26H2,1-2H3/t29-/m1/s1 MESFEGXIYUDYKI-GDLZYMKVSA-N 50104280 CHEMBL309657::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid cyclohexylmethyl ester C-C chemokine receptor type 5 15 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104280&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461559 104000239 CHEMBL309657 ZINC26496415 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188636 CCCCCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OC InChI=1S/C30H45N3O4S/c1-4-5-6-13-21-33(30(34)37-3)28-19-23-32(24-20-28)22-18-27(26-14-9-7-10-15-26)25-31(2)38(35,36)29-16-11-8-12-17-29/h7-12,14-17,27-28H,4-6,13,18-25H2,1-3H3/t27-/m1/s1 RCPDEZFBKMZZMJ-HHHXNRCGSA-N 50104276 CHEMBL79667::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-hexyl-carbamic acid methyl ester C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104276&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461714 104000235 CHEMBL79667 ZINC26496732 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188637 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1C InChI=1S/C34H45N3O4S/c1-4-22-37(34(38)41-27-31-16-12-11-13-28(31)2)32-20-24-36(25-21-32)23-19-30(29-14-7-5-8-15-29)26-35(3)42(39,40)33-17-9-6-10-18-33/h5-18,30,32H,4,19-27H2,1-3H3/t30-/m1/s1 PXJAMMLQVVLTIL-SSEXGKCCSA-N 50104274 CHEMBL81926::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid 2-methyl-benzyl ester C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104274&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461689 104000233 CHEMBL81926 ZINC26508424 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188638 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccc(cc1)C(N)=O InChI=1S/C34H44N4O5S/c1-3-21-38(34(40)43-26-27-14-16-29(17-15-27)33(35)39)31-19-23-37(24-20-31)22-18-30(28-10-6-4-7-11-28)25-36(2)44(41,42)32-12-8-5-9-13-32/h4-17,30-31H,3,18-26H2,1-2H3,(H2,35,39)/t30-/m1/s1 OKAYRNKUARTJKT-SSEXGKCCSA-N 50104275 CHEMBL79622::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid 4-carbamoyl-benzyl ester C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104275&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486606 104000234 CHEMBL79622 ZINC26495067 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188639 COC(=O)N(C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 InChI=1S/C25H35N3O4S/c1-26(33(30,31)24-12-8-5-9-13-24)20-22(21-10-6-4-7-11-21)14-17-28-18-15-23(16-19-28)27(2)25(29)32-3/h4-13,22-23H,14-20H2,1-3H3/t22-/m1/s1 HFXBKECSSBFYBD-JOCHJYFZSA-N 50104277 CHEMBL440137::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-methyl-carbamic acid methyl ester C-C chemokine receptor type 5 150 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104277&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461774 104000236 CHEMBL440137 ZINC26503152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50188640 CCCN(C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)COc1ccccc1 InChI=1S/C33H43N3O4S/c1-3-22-36(33(37)27-40-31-15-9-5-10-16-31)30-20-24-35(25-21-30)23-19-29(28-13-7-4-8-14-28)26-34(2)41(38,39)32-17-11-6-12-18-32/h4-18,29-30H,3,19-27H2,1-2H3/t29-/m0/s1 XERFUSFVPGQKBI-LJAQVGFWSA-N 50104281 CHEMBL84309::N-{1-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-2-phenoxy-N-propyl-acetamide C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104281&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461823 104000240 CHEMBL84309 ZINC26503329 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189812 CO\N=C(/C1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C27H34BrN3O2/c1-19-5-4-6-20(2)25(19)27(32)31-17-13-24(14-18-31)30-15-11-22(12-16-30)26(29-33-3)21-7-9-23(28)10-8-21/h4-10,22,24H,11-18H2,1-3H3/b29-26- KPCJAWUQEHHLIA-WCTVFOPTSA-N 50104930 (Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL112686 C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104930&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44341106 104000727 CHEMBL112686 ZINC26995687 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189813 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26- VCJCJIKWNXQAAJ-BXVZCJGGSA-N 50104929 (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(E/Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL112760 C-C chemokine receptor type 5 25 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104929&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479845 104000726 CHEMBL112760 ZINC13474985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189814 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 ZGDKVKUWTCGYOA-UHFFFAOYSA-N 50104931 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4''''-methyl-[1,4'''']bipiperidinyl-1''''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::3-(4-((4-bromophenyl)(ethoxyimino)methyl)-4''-methyl-1,4''-bipiperidine-1''-carbonyl)-1,2,4-trimethylpyridinium::CHEMBL336672::CHEMBL78535::SCH-351125::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 2.1 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574343 104000728 CHEMBL78535CHEMBL336672 802 ZINC03964224 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189815 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Oc1ccc(Br)cc1 InChI=1S/C26H33BrN2O2/c1-19-5-4-6-20(2)24(19)25(30)28-17-13-26(3,14-18-28)29-15-11-23(12-16-29)31-22-9-7-21(27)8-10-22/h4-10,23H,11-18H2,1-3H3 URLJOVIBMPWIOI-UHFFFAOYSA-N 50104932 CHEMBL108569::[4-(4-Bromo-phenoxy)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 29 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104932&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457672 104000729 CHEMBL108569 ZINC13474984 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189817 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Br)cc1 InChI=1S/C26H34BrN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3 UWYRPZAYLGOTBK-UHFFFAOYSA-N 50104934 CHEMBL292625::[4-(4-Bromo-phenylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 7 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457871 104000731 CHEMBL292625 ZINC13560280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189818 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(Br)cc1 InChI=1S/C26H32BrClN4O2/c1-26(12-16-31(17-13-26)25(33)23-21(28)4-3-5-22(23)29)32-14-10-19(11-15-32)24(30-34-2)18-6-8-20(27)9-7-18/h3-9,19H,10-17,29H2,1-2H3/b30-24+ KHXJCLMSOWKPMR-BGABXYSRSA-N 50104936 (2-Amino-6-chloro-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL105784 C-C chemokine receptor type 5 3.4 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574358 104000733 CHEMBL105784 ZINC26848881 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189820 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27- KFNRGFZWGOCXDB-QVTSOHHYSA-N 50104935 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(Z)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL331140 C-C chemokine receptor type 5 48 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479843 104000732 CHEMBL331140 ZINC26985002 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189821 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3 UIJWAUWNFOKGHC-UHFFFAOYSA-N 50104941 CHEMBL106098::CHEMBL138198::{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 18 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574356 104000738 CHEMBL138198CHEMBL106098 ZINC26849134 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189822 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(Br)cc1 InChI=1S/C27H34BrN3O3/c1-19-5-4-6-23(32)24(19)26(33)30-17-13-27(2,14-18-30)31-15-11-21(12-16-31)25(29-34-3)20-7-9-22(28)10-8-20/h4-10,21,32H,11-18H2,1-3H3/b29-25+ JLFLNZCJUVHUGI-XLVZBRSZSA-N 50104937 1'-(2-Hydroxy-6-methylbenzoyl)-4-[(Z)-(4-bromophenyl)-(methoxyimino)methyl]-4'-methyl-1,4'-bipiperidine::CHEMBL106767::{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-hydroxy-6-methyl-phenyl)-methanone C-C chemokine receptor type 5 18 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104937&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574359 104000734 CHEMBL106767 ZINC13474988 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189823 COc1ccc(cc1)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1 InChI=1S/C35H37FN2O4S/c1-42-28-8-12-30(13-9-28)43(40,41)29-10-6-25(7-11-29)24-26-16-20-37(21-17-26)27-18-22-38(23-19-27)35(39)33-14-15-34(36)32-5-3-2-4-31(32)33/h2-15,26-27H,16-24H2,1H3 XVOCHVRQMXWEQB-UHFFFAOYSA-N 50104942 (4-Fluoro-naphthalen-1-yl)-{4-[4-(4-methoxy-benzenesulfonyl)-benzyl]-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL109051 C-C chemokine receptor type 5 1 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104942&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44337326 104000739 CHEMBL109051 ZINC26850561 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189824 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+ YZDKZEBRKKYLLA-QCWLDUFUSA-N 50104940 CHEMBL323172::{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-pyridin-3-yl)-methanone C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574357 104000737 CHEMBL323172 ZINC13474990 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189825 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+ UCANOSVRVFBCJE-GKPLWNPISA-N 50104933 CHEMBL105821::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-pyridin-3-yl)-methanone C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104933&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9575320 104000730 CHEMBL105821 ZINC26846879 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189826 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=O)c1ccc(Br)cc1 InChI=1S/C27H33BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22H,11-18H2,1-3H3 FMNMLKWJLFYSMF-UHFFFAOYSA-N 50104939 (4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-methanone::CHEMBL106209::[4-(4-Bromo-benzoyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 54 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457671 104000736 CHEMBL106209 ZINC13474980 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189827 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Br)cc2)CC1 InChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3 ZVCMZXYHBQKEGX-UHFFFAOYSA-N 50104943 4-[(4-Bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-1,4'-bipiperidine::CHEMBL106247::[4-(4-Bromo-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 66 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104943&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457875 104000740 CHEMBL106247 ZINC13474970 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189828 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O2/c1-19-5-4-6-23(29)24(19)26(33)31-17-13-27(2,14-18-31)32-15-11-21(12-16-32)25(30-34-3)20-7-9-22(28)10-8-20/h4-10,21H,11-18,29H2,1-3H3/b30-25+ SIGNOFGQWWUQJS-QCWLDUFUSA-N 50104938 (2-Amino-6-methyl-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL109158 C-C chemokine receptor type 5 4.5 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104938&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574360 104000735 CHEMBL109158 ZINC13474989 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189829 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)C(F)(F)F InChI=1S/C28H36F3N3O2/c1-19-6-5-7-24(35)25(19)26(36)32-14-12-27(4,13-15-32)33-16-17-34(20(2)18-33)21(3)22-8-10-23(11-9-22)28(29,30)31/h5-11,20-21,35H,12-18H2,1-4H3/t20-,21-/m0/s1 MUZZKZIHYIHBGE-SFTDATJTSA-N 50104944 (2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL111998 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104944&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 484577 104000741 CHEMBL111998 ZINC22941899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189830 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccccc1 InChI=1S/C27H37N3O/c1-20-9-8-10-21(2)26(20)27(31)28-15-13-25(14-16-28)29-17-18-30(22(3)19-29)23(4)24-11-6-5-7-12-24/h5-12,22-23,25H,13-19H2,1-4H3/t22-,23-/m0/s1 GULMMOWWLOPXLP-GOTSBHOMSA-N 50104945 (2,6-Dimethyl-phenyl)-{4-[3-methyl-4-(1-phenyl-ethyl)-piperazin-1-yl]-piperidin-1-yl}-methanone::CHEMBL325957 C-C chemokine receptor type 5 275 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104945&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11069824 104000742 CHEMBL325957 ZINC27076568 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189831 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(I)cc2)CC1 InChI=1S/C25H32IN3O/c1-19-4-3-5-20(2)24(19)25(30)29-12-10-23(11-13-29)28-16-14-27(15-17-28)18-21-6-8-22(26)9-7-21/h3-9,23H,10-18H2,1-2H3 QRLCJGHAWBRZAF-UHFFFAOYSA-N 50104948 (2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-piperazin-1-yl]-piperidin-1-yl}-methanone::CHEMBL111982 C-C chemokine receptor type 5 440 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104948&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 461546 104000745 CHEMBL111982 ZINC22941880 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189832 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C27H36BrN3O/c1-19-6-5-7-20(2)26(19)27(32)29-14-12-25(13-15-29)30-16-17-31(21(3)18-30)22(4)23-8-10-24(28)11-9-23/h5-11,21-22,25H,12-18H2,1-4H3/t21-,22-/m0/s1 RKSSDOVJRLDBOC-VXKWHMMOSA-N 50104947 (4-{4-[1-(4-Bromo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL322817 C-C chemokine receptor type 5 6 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104947&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9827221 104000744 CHEMBL322817 ZINC26993411 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189833 C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C27H36IN3O/c1-20-6-5-7-21(2)25(20)26(32)29-14-12-27(4,13-15-29)31-17-16-30(22(3)18-31)19-23-8-10-24(28)11-9-23/h5-11,22H,12-19H2,1-4H3/t22-/m0/s1 LEFAKKLOKFYYJX-QFIPXVFZSA-N 50104949 (2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl}-methanone::(2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl}-methanone::CHEMBL325556 C-C chemokine receptor type 5 8 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104949&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 484581 104000746 CHEMBL325556 ZINC26992898 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189834 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(I)cc1 InChI=1S/C26H34ClIN4O/c1-18-17-31(15-16-32(18)19(2)20-7-9-21(28)10-8-20)26(3)11-13-30(14-12-26)25(33)24-22(27)5-4-6-23(24)29/h4-10,18-19H,11-17,29H2,1-3H3/t18-,19-/m0/s1 QCDDKNCWCRNPEP-OALUTQOASA-N 50104953 (2-Amino-6-chloro-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Amino-6-chloro-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL113154 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456323 104000750 CHEMBL113154 ZINC26995712 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189835 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1 DTKUANPECHGGBY-UNMCSNQZSA-N 50104946 (2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL113436 C-C chemokine receptor type 5 2.3 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104946&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 464036 104000743 CHEMBL113436 ZINC22941914 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189836 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C27H36BrN3O/c1-19-6-5-7-20(2)26(19)27(32)29-14-12-25(13-15-29)30-16-17-31(21(3)18-30)22(4)23-8-10-24(28)11-9-23/h5-11,21-22,25H,12-18H2,1-4H3/t21-,22-/m0/s1 RKSSDOVJRLDBOC-VXKWHMMOSA-N 50104947 (4-{4-[1-(4-Bromo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL322817 C-C chemokine receptor type 5 23 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104947&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9827221 104000744 CHEMBL322817 ZINC26993411 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189837 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1 RQDGBNLSKUOAJD-SFTDATJTSA-N 50104956 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL322251 C-C chemokine receptor type 5 7 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511332 104000753 CHEMBL322251 ZINC22451716 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189838 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C29H38F3N3O/c1-20-7-6-8-21(2)26(20)27(36)33-15-13-28(5,14-16-33)34-17-18-35(22(3)19-34)23(4)24-9-11-25(12-10-24)29(30,31)32/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1 HMVJROBJYQFKLV-GOTSBHOMSA-N 50104954 (2,6-Dimethyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL115487 C-C chemokine receptor type 5 7 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104954&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456375 104000751 CHEMBL115487 ZINC22941891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189840 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(I)cc1 InChI=1S/C27H36IN3O2/c1-19-6-5-7-24(32)25(19)26(33)29-14-12-27(4,13-15-29)30-16-17-31(20(2)18-30)21(3)22-8-10-23(28)11-9-22/h5-11,20-21,32H,12-18H2,1-4H3/t20-,21-/m0/s1 KFQDPQKXTSWQOC-SFTDATJTSA-N 50104951 (2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Hydroxy-6-methyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL326020 C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104951&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462409 104000748 CHEMBL326020 ZINC26994007 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189841 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(cc1)S(C)(=O)=O InChI=1S/C27H37ClN4O3S/c1-19-18-31(16-17-32(19)20(2)21-8-10-22(11-9-21)36(4,34)35)27(3)12-14-30(15-13-27)26(33)25-23(28)6-5-7-24(25)29/h5-11,19-20H,12-18,29H2,1-4H3/t19-,20-/m0/s1 NIQFKQNWLGIKCV-PMACEKPBSA-N 50104958 (2-Amino-6-chloro-phenyl)-(4-{(S)-4-[(S)-1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Amino-6-chloro-phenyl)-(4-{4-[1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL113042 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104958&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 484579 104000755 CHEMBL113042 ZINC22941906 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189842 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(C)(=O)=O InChI=1S/C29H41N3O3S/c1-21-8-7-9-22(2)27(21)28(33)30-16-14-29(5,15-17-30)31-18-19-32(23(3)20-31)24(4)25-10-12-26(13-11-25)36(6,34)35/h7-13,23-24H,14-20H2,1-6H3/t23-,24-/m0/s1 IICSHLLWAXMCEQ-ZEQRLZLVSA-N 50104950 (2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-{4-[1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL113072 C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104950&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 484578 104000747 CHEMBL113072 ZINC22941902 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189843 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(I)cc1 InChI=1S/C27H36IN3O/c1-19-6-5-7-20(2)26(19)27(32)29-14-12-25(13-15-29)30-16-17-31(21(3)18-30)22(4)23-8-10-24(28)11-9-23/h5-11,21-22,25H,12-18H2,1-4H3/t21-,22-/m0/s1 RYUYDSMTRQCJHP-VXKWHMMOSA-N 50104957 (2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL112659 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483744 104000754 CHEMBL112659 ZINC22454001 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189844 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(cc1)C(F)(F)F InChI=1S/C27H34ClF3N4O/c1-18-17-34(15-16-35(18)19(2)20-7-9-21(10-8-20)27(29,30)31)26(3)11-13-33(14-12-26)25(36)24-22(28)5-4-6-23(24)32/h4-10,18-19H,11-17,32H2,1-3H3/t18-,19-/m0/s1 SWRITPDTBCAFCK-OALUTQOASA-N 50104955 (2-Amino-6-chloro-phenyl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2-Amino-6-chloro-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL325276 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104955&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 461327 104000752 CHEMBL325276 ZINC22941894 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189845 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCN(Cc2ccc(I)cc2)CC1 InChI=1S/C26H34IN3O/c1-20-5-4-6-21(2)24(20)25(31)29-13-11-26(3,12-14-29)30-17-15-28(16-18-30)19-22-7-9-23(27)10-8-22/h4-10H,11-19H2,1-3H3 PJNAHFJXUCOBEV-UHFFFAOYSA-N 50104960 (2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-piperazin-1-yl]-4-methyl-piperidin-1-yl}-methanone::CHEMBL113648 C-C chemokine receptor type 5 62 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456298 104000757 CHEMBL113648 ZINC22941884 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189846 C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C26H34IN3O/c1-19-5-4-6-20(2)25(19)26(31)28-13-11-24(12-14-28)30-16-15-29(21(3)17-30)18-22-7-9-23(27)10-8-22/h4-10,21,24H,11-18H2,1-3H3/t21-/m0/s1 SXKBUSBIAWXPCP-NRFANRHFSA-N 50104961 (2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-methanone::(2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-methanone::CHEMBL116008 C-C chemokine receptor type 5 30 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456647 104000758 CHEMBL116008 ZINC22941887 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189848 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)S(C)(=O)=O InChI=1S/C28H39N3O4S/c1-20-7-6-8-25(32)26(20)27(33)29-15-13-28(4,14-16-29)30-17-18-31(21(2)19-30)22(3)23-9-11-24(12-10-23)36(5,34)35/h6-12,21-22,32H,13-19H2,1-5H3/t21-,22-/m0/s1 DCQTZTFWQIEXHS-VXKWHMMOSA-N 50104959 (2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Hydroxy-6-methyl-phenyl)-(4-{4-[1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL112299 C-C chemokine receptor type 5 15 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104959&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456339 104000756 CHEMBL112299 ZINC22941910 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50189849 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(I)cc1 InChI=1S/C28H38IN3O/c1-20-7-6-8-21(2)26(20)27(33)30-15-13-28(5,14-16-30)31-17-18-32(22(3)19-31)23(4)24-9-11-25(29)12-10-24/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1 GLPXKCDPFDUVQT-GOTSBHOMSA-N 50104952 (2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL115716 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm0155401 10.7270/Q23X85X2 11585438 Tagat, JR; Steensma, RW; McCombie, SW; Nazareno, DV; Lin, SI; Neustadt, BR; Cox, K; Xu, S; Wojcik, L; Murray, MG; Vantuno, N; Baroudy, BM; Strizki, JM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104952&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456372 104000749 CHEMBL115716 ZINC26996469 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191265 C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(c1)-c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C35H38N2/c1-4-11-28(12-5-1)24-37-26-34(25-36-21-19-31(20-22-36)29-13-6-2-7-14-29)35(27-37)33-18-10-17-32(23-33)30-15-8-3-9-16-30/h1-18,23,31,34-35H,19-22,24-27H2/t34-,35+/m0/s1 NGHZITOYYPOZLV-OIDHKYIRSA-N 50105499 1-((3S,4S)-1-Benzyl-4-biphenyl-3-yl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine::CHEMBL91339 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105499&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489832 104001216 CHEMBL91339 ZINC26652046 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191266 CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2cccc3ccccc23)CC1)C(=O)OCc1ccccc1 InChI=1S/C37H41N3O3/c1-2-40(37(42)43-27-28-12-5-3-6-13-28)32-20-22-38(23-21-32)24-31-25-39(26-35(31)30-14-7-4-8-15-30)36(41)34-19-11-17-29-16-9-10-18-33(29)34/h3-19,31-32,35H,2,20-27H2,1H3/t31-,35+/m0/s1 NRTDAVJLOWCOMF-MFACQUFMSA-N 50105500 CHEMBL329140::Ethyl-{1-[(3S,4S)-1-(naphthalene-1-carbonyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid benzyl ester C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105500&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44325542 104001217 CHEMBL329140 ZINC26659476 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191267 O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1cccc2ccccc12 InChI=1S/C33H34N2O/c36-33(31-17-9-15-27-14-7-8-16-30(27)31)35-23-29(32(24-35)28-12-5-2-6-13-28)22-34-20-18-26(19-21-34)25-10-3-1-4-11-25/h1-17,26,29,32H,18-24H2/t29-,32+/m0/s1 JZDVMULGLYNFNE-BHDXBOSCSA-N 50105501 CHEMBL315159::Naphthalen-1-yl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone C-C chemokine receptor type 5 19 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105501&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44325489 104001218 CHEMBL315159 ZINC38154939 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191268 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3ccccc3)CC2)cc1 InChI=1S/C34H38N4O5/c1-2-19-37(34(40)43-25-26-13-15-31(16-14-26)38(41)42)30-17-20-35(21-18-30)22-29-23-36(33(39)28-11-7-4-8-12-28)24-32(29)27-9-5-3-6-10-27/h2-16,29-30,32H,1,17-25H2/t29-,32+/m0/s1 PXSJHZDVAPTMRG-BHDXBOSCSA-N 50105503 Allyl-[1-((3S,4S)-1-benzoyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL431852 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105503&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490019 104001220 CHEMBL431852 ZINC26664644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191269 CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H39N3O3/c1-2-36(33(38)39-25-26-12-6-3-7-13-26)30-18-20-34(21-19-30)22-29-23-35(32(37)28-16-10-5-11-17-28)24-31(29)27-14-8-4-9-15-27/h3-17,29-31H,2,18-25H2,1H3/t29-,31+/m0/s1 JAYQQZOTCXTTTQ-IGYGKHONSA-N 50105502 CHEMBL92803::[1-((3S,4S)-1-Benzoyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105502&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490013 104001219 CHEMBL92803 ZINC03921850 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191270 Brc1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 InChI=1S/C29H33BrN2/c30-28-13-7-12-26(18-28)29-22-32(19-23-8-3-1-4-9-23)21-27(29)20-31-16-14-25(15-17-31)24-10-5-2-6-11-24/h1-13,18,25,27,29H,14-17,19-22H2/t27-,29+/m0/s1 DGPUZKDKMFOLFB-LMSSTIIKSA-N 50105504 1-[(3S,4S)-1-Benzyl-4-(3-bromo-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine::CHEMBL93691 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105504&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489831 104001221 CHEMBL93691 ZINC26658150 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191271 Fc1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 InChI=1S/C29H33FN2/c30-28-13-7-12-26(18-28)29-22-32(19-23-8-3-1-4-9-23)21-27(29)20-31-16-14-25(15-17-31)24-10-5-2-6-11-24/h1-13,18,25,27,29H,14-17,19-22H2/t27-,29+/m0/s1 UAASWCCHNDDVQA-LMSSTIIKSA-N 50105505 1-[(3S,4S)-1-Benzyl-4-(3-fluoro-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine::CHEMBL96217 C-C chemokine receptor type 5 150 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105505&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489835 104001222 CHEMBL96217 ZINC26664141 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191272 COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1 InChI=1S/C31H40ClN3O3/c1-38-31(37)35(19-23-9-5-6-10-23)26-15-17-33(18-16-26)20-25-21-34(22-28(25)24-11-3-2-4-12-24)30(36)27-13-7-8-14-29(27)32/h2-4,7-8,11-14,23,25-26,28H,5-6,9-10,15-22H2,1H3/t25-,28+/m0/s1 AYBYDZGKZJGCDX-LBNVMWSVSA-N 50105506 CHEMBL93961::{1-[(3S,4S)-1-(2-Chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-cyclopentylmethyl-carbamic acid methyl ester C-C chemokine receptor type 5 12 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105506&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490008 104001223 CHEMBL93961 ZINC26660710 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191273 O=C(C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C29H38N2O/c32-29(26-14-8-3-9-15-26)31-21-27(28(22-31)25-12-6-2-7-13-25)20-30-18-16-24(17-19-30)23-10-4-1-5-11-23/h1-2,4-7,10-13,24,26-28H,3,8-9,14-22H2/t27-,28+/m0/s1 PJJLWEODISMAPG-WUFINQPMSA-N 50105507 CHEMBL92861::Cyclohexyl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone C-C chemokine receptor type 5 34 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105507&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489824 104001224 CHEMBL92861 ZINC38154938 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191274 CN(C[C@@](C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C34H42N4O6S/c1-4-22-37(33(39)44-26-28-15-17-31(18-16-28)38(40)41)30-19-23-36(24-20-30)25-21-34(2,29-11-7-5-8-12-29)27-35(3)45(42,43)32-13-9-6-10-14-32/h4-18,30H,1,19-27H2,2-3H3/t34-/m1/s1 NNARXJVWUPPZIP-UUWRZZSWSA-N 50105510 Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL93139 C-C chemokine receptor type 5 0.100000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105510&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002976 104001227 CHEMBL93139 ZINC03976619 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191275 Fc1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C29H31FN2O/c30-28-14-8-7-13-26(28)29(33)32-20-25(27(21-32)24-11-5-2-6-12-24)19-31-17-15-23(16-18-31)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1 JUEQHBNCBLUIKN-AHKZPQOWSA-N 50105511 (2-Fluoro-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL90129 C-C chemokine receptor type 5 96 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105511&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489815 104001228 CHEMBL90129 ZINC26652991 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191276 FC(F)(F)c1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C30H31F3N2O/c31-30(32,33)28-14-8-7-13-26(28)29(36)35-20-25(27(21-35)24-11-5-2-6-12-24)19-34-17-15-23(16-18-34)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1 VVGUUHULZSGJMJ-AHKZPQOWSA-N 50105508 CHEMBL93625::[(3S,4S)-3-Phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-(2-trifluoromethyl-phenyl)-methanone C-C chemokine receptor type 5 97 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105508&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489814 104001225 CHEMBL93625 ZINC26652922 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191277 Clc1ccc(cc1)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C29H31ClN2O/c30-27-13-11-25(12-14-27)29(33)32-20-26(28(21-32)24-9-5-2-6-10-24)19-31-17-15-23(16-18-31)22-7-3-1-4-8-22/h1-14,23,26,28H,15-21H2/t26-,28+/m0/s1 AAEHNXBQLULMSR-XTEPFMGCSA-N 50105509 (4-Chloro-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL316073 C-C chemokine receptor type 5 750 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105509&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489810 104001226 CHEMBL316073 ZINC26662502 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191278 O=C(C1CCCC1)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C28H36N2O/c31-28(25-13-7-8-14-25)30-20-26(27(21-30)24-11-5-2-6-12-24)19-29-17-15-23(16-18-29)22-9-3-1-4-10-22/h1-6,9-12,23,25-27H,7-8,13-21H2/t26-,27+/m0/s1 LZUVGLVLXJBEKD-RRPNLBNLSA-N 50105512 CHEMBL94179::Cyclopentyl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone C-C chemokine receptor type 5 19 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105512&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489825 104001229 CHEMBL94179 ZINC38154936 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191279 C([C@H]1CN(C[C@@H]1c1ccccc1)c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C28H32N2/c1-4-10-23(11-5-1)24-16-18-29(19-17-24)20-26-21-30(27-14-8-3-9-15-27)22-28(26)25-12-6-2-7-13-25/h1-15,24,26,28H,16-22H2/t26-,28+/m0/s1 WVTOOOITCXRASM-XTEPFMGCSA-N 50105513 1-((3S,4S)-1,4-Diphenyl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine::CHEMBL93887 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105513&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457829 104001230 CHEMBL93887 ZINC40460500 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191280 CC(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C30H36N2/c1-24(25-11-5-2-6-12-25)32-22-29(30(23-32)28-15-9-4-10-16-28)21-31-19-17-27(18-20-31)26-13-7-3-8-14-26/h2-16,24,27,29-30H,17-23H2,1H3/t24?,29-,30+/m0/s1 DFZGSDFUPNOHRU-ZWBSKDEBSA-N 50105514 4-Phenyl-1-[(3S,4S)-4-phenyl-1-(1-phenyl-ethyl)-pyrrolidin-3-ylmethyl]-piperidine::CHEMBL91697 C-C chemokine receptor type 5 480 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105514&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 473081 104001231 CHEMBL91697 ZINC26662708 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191281 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(Cc4ccccc4)C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C34H40N4O4/c1-2-19-37(34(39)42-26-28-13-15-32(16-14-28)38(40)41)31-17-20-35(21-18-31)23-30-24-36(22-27-9-5-3-6-10-27)25-33(30)29-11-7-4-8-12-29/h2-16,30-31,33H,1,17-26H2/t30-,33+/m0/s1 HTRMKVILHUDNAN-BZKUTMRRSA-N 50105517 Allyl-[1-((3S,4S)-1-benzyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL328445 C-C chemokine receptor type 5 0.100000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105517&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490018 104001234 CHEMBL328445 ZINC26663869 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191282 C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(c1)-c1ccsc1)N1CCC(CC1)c1ccccc1 InChI=1S/C33H36N2S/c1-3-8-26(9-4-1)21-35-23-32(22-34-17-14-28(15-18-34)27-10-5-2-6-11-27)33(24-35)30-13-7-12-29(20-30)31-16-19-36-25-31/h1-13,16,19-20,25,28,32-33H,14-15,17-18,21-24H2/t32-,33+/m0/s1 JHFXCMMRNYGHFT-JHOUSYSJSA-N 50105516 1-[(3S,4S)-1-Benzyl-4-(3-thiophen-3-yl-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine::CHEMBL330065 C-C chemokine receptor type 5 220 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44325511 104001233 CHEMBL330065 ZINC26656227 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191283 O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccco1 InChI=1S/C27H30N2O2/c30-27(26-12-7-17-31-26)29-19-24(25(20-29)23-10-5-2-6-11-23)18-28-15-13-22(14-16-28)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2/t24-,25+/m0/s1 NWAQOASMFJOTSL-LOSJGSFVSA-N 50105515 CHEMBL328373::Furan-2-yl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone C-C chemokine receptor type 5 55 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489821 104001232 CHEMBL328373 ZINC38154935 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191284 C(Cc1ccccc1)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C30H36N2/c1-4-10-25(11-5-1)16-19-32-23-29(30(24-32)28-14-8-3-9-15-28)22-31-20-17-27(18-21-31)26-12-6-2-7-13-26/h1-15,27,29-30H,16-24H2/t29-,30+/m0/s1 HCZCYUMXCXUSEH-XZWHSSHBSA-N 50105519 1-((3S,4S)-1-Phenethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine::CHEMBL441635 C-C chemokine receptor type 5 200 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105519&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457679 104001236 CHEMBL441635 ZINC53276281 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191285 O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C29H32N2O/c32-29(26-14-8-3-9-15-26)31-21-27(28(22-31)25-12-6-2-7-13-25)20-30-18-16-24(17-19-30)23-10-4-1-5-11-23/h1-15,24,27-28H,16-22H2/t27-,28+/m0/s1 CGHMTSVQIAJUTD-WUFINQPMSA-N 50105518 CHEMBL327846::Phenyl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone C-C chemokine receptor type 5 67 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105518&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489806 104001235 CHEMBL327846 ZINC38154941 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191286 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C33H42N4O5/c1-2-18-36(33(39)42-24-25-12-14-30(15-13-25)37(40)41)29-16-19-34(20-17-29)21-28-22-35(32(38)27-10-6-7-11-27)23-31(28)26-8-4-3-5-9-26/h2-5,8-9,12-15,27-29,31H,1,6-7,10-11,16-24H2/t28-,31+/m0/s1 JAASGPZONVCBJU-QCENPCRXSA-N 50105521 Allyl-[1-((3S,4S)-1-cyclopentanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL329893 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105521&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490023 104001238 CHEMBL329893 ZINC26657442 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191287 Cc1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 InChI=1S/C30H36N2/c1-24-9-8-14-28(19-24)30-23-32(20-25-10-4-2-5-11-25)22-29(30)21-31-17-15-27(16-18-31)26-12-6-3-7-13-26/h2-14,19,27,29-30H,15-18,20-23H2,1H3/t29-,30+/m0/s1 VFLGCTDTGODARK-XZWHSSHBSA-N 50105522 1-((3S,4S)-1-Benzyl-4-m-tolyl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine::CHEMBL327540 C-C chemokine receptor type 5 390 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105522&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489833 104001239 CHEMBL327540 ZINC26656662 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191288 Clc1cccc(c1)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C29H31ClN2O/c30-27-13-7-12-25(18-27)29(33)32-20-26(28(21-32)24-10-5-2-6-11-24)19-31-16-14-23(15-17-31)22-8-3-1-4-9-22/h1-13,18,23,26,28H,14-17,19-21H2/t26-,28+/m0/s1 PMORIAQBJZCUMI-XTEPFMGCSA-N 50105520 (3-Chloro-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL93949 C-C chemokine receptor type 5 94 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489809 104001237 CHEMBL93949 ZINC26654667 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191289 Clc1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 InChI=1S/C29H33ClN2/c30-28-13-7-12-26(18-28)29-22-32(19-23-8-3-1-4-9-23)21-27(29)20-31-16-14-25(15-17-31)24-10-5-2-6-11-24/h1-13,18,25,27,29H,14-17,19-22H2/t27-,29+/m0/s1 LLRZXEPSNACQNM-LMSSTIIKSA-N 50105525 1-[(3S,4S)-1-Benzyl-4-(3-chloro-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine::CHEMBL94032 C-C chemokine receptor type 5 810 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105525&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489829 104001242 CHEMBL94032 ZINC26656642 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191290 O=C(C1CCC1)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C27H34N2O/c30-27(24-12-7-13-24)29-19-25(26(20-29)23-10-5-2-6-11-23)18-28-16-14-22(15-17-28)21-8-3-1-4-9-21/h1-6,8-11,22,24-26H,7,12-20H2/t25-,26+/m0/s1 WMCZIGXXBLMNLT-IZZNHLLZSA-N 50105524 CHEMBL93457::Cyclobutyl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone C-C chemokine receptor type 5 48 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489826 104001241 CHEMBL93457 ZINC38154937 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191291 O=S(=O)(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C28H32N2O2S/c31-33(32,27-14-8-3-9-15-27)30-21-26(28(22-30)25-12-6-2-7-13-25)20-29-18-16-24(17-19-29)23-10-4-1-5-11-23/h1-15,24,26,28H,16-22H2/t26-,28+/m0/s1 WNJMESXYCKJYEA-XTEPFMGCSA-N 50105523 1-((3S,4S)-1-Benzenesulfonyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine::CHEMBL329131 C-C chemokine receptor type 5 152 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105523&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 473305 104001240 CHEMBL329131 ZINC26662011 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191292 C(CN1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)Cc1ccccc1 InChI=1S/C31H38N2/c1-4-11-26(12-5-1)13-10-20-33-24-30(31(25-33)29-16-8-3-9-17-29)23-32-21-18-28(19-22-32)27-14-6-2-7-15-27/h1-9,11-12,14-17,28,30-31H,10,13,18-25H2/t30-,31+/m0/s1 SAGVACGYDFCJIK-IOWSJCHKSA-N 50105526 4-Phenyl-1-[(3S,4S)-4-phenyl-1-(3-phenyl-propyl)-pyrrolidin-3-ylmethyl]-piperidine::CHEMBL93277 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105526&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457797 104001243 CHEMBL93277 ZINC26654388 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191293 C([C@H]1CNC[C@@H]1c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C22H28N2/c1-3-7-18(8-4-1)19-11-13-24(14-12-19)17-21-15-23-16-22(21)20-9-5-2-6-10-20/h1-10,19,21-23H,11-17H2/t21-,22-/m1/s1 ZIJSVPUNZCZGCP-FGZHOGPDSA-N 50105527 4-Phenyl-1-((3R,4S)-4-phenyl-pyrrolidin-3-ylmethyl)-piperidine::CHEMBL414222 C-C chemokine receptor type 5 980 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105527&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457845 104001244 CHEMBL414222 ZINC38154942 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191294 COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2cccc3ccccc23)CC1 InChI=1S/C35H43N3O3/c1-41-35(40)38(22-26-10-5-6-11-26)30-18-20-36(21-19-30)23-29-24-37(25-33(29)28-12-3-2-4-13-28)34(39)32-17-9-15-27-14-7-8-16-31(27)32/h2-4,7-9,12-17,26,29-30,33H,5-6,10-11,18-25H2,1H3/t29-,33+/m0/s1 XYUPLSIDDGFHPC-RYCFQHDISA-N 50105528 CHEMBL406552::Cyclopentylmethyl-{1-[(3S,4S)-1-(naphthalene-1-carbonyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid methyl ester C-C chemokine receptor type 5 22 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105528&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44325917 104001245 CHEMBL406552 ZINC26664977 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191295 C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C29H34N2/c1-4-10-24(11-5-1)20-31-22-28(29(23-31)27-14-8-3-9-15-27)21-30-18-16-26(17-19-30)25-12-6-2-7-13-25/h1-15,26,28-29H,16-23H2/t28-,29+/m0/s1 UBLXYTLHCHAYRI-URLMMPGGSA-N 50105529 1-((3S,4S)-1-Benzyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine::CHEMBL90015 C-C chemokine receptor type 5 255 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105529&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456374 104001246 CHEMBL90015 ZINC26652117 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191296 Clc1ccccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 InChI=1S/C29H33ClN2/c30-29-14-8-7-13-27(29)28-22-32(19-23-9-3-1-4-10-23)21-26(28)20-31-17-15-25(16-18-31)24-11-5-2-6-12-24/h1-14,25-26,28H,15-22H2/t26-,28-/m0/s1 AIBUJZOURZLWNC-XCZPVHLTSA-N 50105530 1-[(3S,4S)-1-Benzyl-4-(2-chloro-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine::CHEMBL327478 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105530&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489828 104001247 CHEMBL327478 ZINC26653897 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191297 O=S1CC2(CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c2ccccc12 InChI=1S/C29H32N2O3S2/c32-35-22-29(27-13-7-8-14-28(27)35)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)36(33,34)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+,35?/m0/s1 IUMHTNIGQVOIEZ-ALIQMBEYSA-N 50105531 1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1-oxide]::1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophenium-3,4'-(hexahydropyridine)]-1-olate::CHEMBL330528 C-C chemokine receptor type 5 26 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105531&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489594 104001248 CHEMBL330528 ZINC26661734 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191298 COC(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C31H34N2O3/c1-36-31(35)28-15-9-8-14-27(28)30(34)33-21-26(29(22-33)25-12-6-3-7-13-25)20-32-18-16-24(17-19-32)23-10-4-2-5-11-23/h2-15,24,26,29H,16-22H2,1H3/t26-,29+/m0/s1 QDNUJFRZHNNMOR-LITSAYRRSA-N 50105538 2-[(3S,4S)-3-Phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-benzoic acid methyl ester::CHEMBL327392 C-C chemokine receptor type 5 32 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105538&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489818 104001255 CHEMBL327392 ZINC03921827 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191299 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C32H41N3O4S/c1-3-35(32(36)39-26-27-13-7-4-8-14-27)30-20-23-34(24-21-30)22-19-29(28-15-9-5-10-16-28)25-33(2)40(37,38)31-17-11-6-12-18-31/h4-18,29-30H,3,19-26H2,1-2H3/t29-/m1/s1 ZXGGAWLLOZVQTA-GDLZYMKVSA-N 50104235 CHEMBL85086::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 7 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104235&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275829 104000194 CHEMBL85086 ZINC26567668 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191300 O=C(Cc1ccccc1)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C30H34N2O/c33-30(20-24-10-4-1-5-11-24)32-22-28(29(23-32)27-14-8-3-9-15-27)21-31-18-16-26(17-19-31)25-12-6-2-7-13-25/h1-15,26,28-29H,16-23H2/t28-,29+/m0/s1 ZNKKMHNVKWDTQP-URLMMPGGSA-N 50105536 2-Phenyl-1-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-ethanone::CHEMBL93229 C-C chemokine receptor type 5 155 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105536&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489807 104001253 CHEMBL93229 ZINC26654225 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191301 O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1cccs1 InChI=1S/C27H30N2OS/c30-27(26-12-7-17-31-26)29-19-24(25(20-29)23-10-5-2-6-11-23)18-28-15-13-22(14-16-28)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2/t24-,25+/m0/s1 CVLFQNKIXDJJFJ-LOSJGSFVSA-N 50105537 CHEMBL94182::[(3S,4S)-3-Phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-thiophen-2-yl-methanone C-C chemokine receptor type 5 46 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105537&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489822 104001254 CHEMBL94182 ZINC26655755 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191302 Clc1ccc(cc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 InChI=1S/C29H33ClN2/c30-28-13-11-26(12-14-28)29-22-32(19-23-7-3-1-4-8-23)21-27(29)20-31-17-15-25(16-18-31)24-9-5-2-6-10-24/h1-14,25,27,29H,15-22H2/t27-,29+/m0/s1 CLVOVQDWCOTBAC-LMSSTIIKSA-N 50105533 1-[(3S,4S)-1-Benzyl-4-(4-chloro-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine::CHEMBL94031 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105533&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489830 104001250 CHEMBL94031 ZINC26656637 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191303 CCC(CC)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C28H38N2O/c1-3-22(4-2)28(31)30-20-26(27(21-30)25-13-9-6-10-14-25)19-29-17-15-24(16-18-29)23-11-7-5-8-12-23/h5-14,22,24,26-27H,3-4,15-21H2,1-2H3/t26-,27+/m0/s1 GHAOJMMFGLHZBJ-RRPNLBNLSA-N 50105532 2-Ethyl-1-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-butan-1-one::CHEMBL329107 C-C chemokine receptor type 5 57 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105532&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489827 104001249 CHEMBL329107 ZINC05964840 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191304 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)C3CCCCC3)CC2)cc1 InChI=1S/C34H44N4O5/c1-2-19-37(34(40)43-25-26-13-15-31(16-14-26)38(41)42)30-17-20-35(21-18-30)22-29-23-36(33(39)28-11-7-4-8-12-28)24-32(29)27-9-5-3-6-10-27/h2-3,5-6,9-10,13-16,28-30,32H,1,4,7-8,11-12,17-25H2/t29-,32+/m0/s1 CHQDHAHHPHGSMK-BHDXBOSCSA-N 50105544 Allyl-[1-((3S,4S)-1-cyclohexanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL328260 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105544&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490022 104001261 CHEMBL328260 ZINC26658870 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191305 COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCC2)CC1 InChI=1S/C30H45N3O3/c1-36-30(35)33(19-23-9-5-6-10-23)27-15-17-31(18-16-27)20-26-21-32(29(34)25-13-7-8-14-25)22-28(26)24-11-3-2-4-12-24/h2-4,11-12,23,25-28H,5-10,13-22H2,1H3/t26-,28+/m0/s1 HSSABHWMBMZDBQ-XTEPFMGCSA-N 50105539 CHEMBL327186::[1-((3S,4S)-1-Cyclopentanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-cyclopentylmethyl-carbamic acid methyl ester C-C chemokine receptor type 5 15 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105539&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490011 104001256 CHEMBL327186 ZINC26662523 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191306 CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCC2)CC1)C(=O)OCc1ccccc1 InChI=1S/C32H43N3O3/c1-2-35(32(37)38-24-25-11-5-3-6-12-25)29-17-19-33(20-18-29)21-28-22-34(31(36)27-15-9-10-16-27)23-30(28)26-13-7-4-8-14-26/h3-8,11-14,27-30H,2,9-10,15-24H2,1H3/t28-,30+/m0/s1 XIMQRVAHXBOEOW-MFMCTBQISA-N 50105540 CHEMBL430867::[1-((3S,4S)-1-Cyclopentanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105540&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490017 104001257 CHEMBL430867 ZINC03921853 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191307 COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1 InChI=1S/C31H47N3O3/c1-37-31(36)34(20-24-10-8-9-11-24)28-16-18-32(19-17-28)21-27-22-33(30(35)26-14-6-3-7-15-26)23-29(27)25-12-4-2-5-13-25/h2,4-5,12-13,24,26-29H,3,6-11,14-23H2,1H3/t27-,29+/m0/s1 JRENNAMRLZQRKV-LMSSTIIKSA-N 50105535 CHEMBL96242::[1-((3S,4S)-1-Cyclohexanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-cyclopentylmethyl-carbamic acid methyl ester C-C chemokine receptor type 5 17 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105535&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490010 104001252 CHEMBL96242 ZINC26664516 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191308 O=C(Nc1ccccc1)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C29H33N3O/c33-29(30-27-14-8-3-9-15-27)32-21-26(28(22-32)25-12-6-2-7-13-25)20-31-18-16-24(17-19-31)23-10-4-1-5-11-23/h1-15,24,26,28H,16-22H2,(H,30,33)/t26-,28+/m0/s1 COMVHBCGMOXRMN-XTEPFMGCSA-N 50105534 (3S,4S)-3-Phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidine-1-carboxylic acid phenylamide::CHEMBL93644 C-C chemokine receptor type 5 610 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105534&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489805 104001251 CHEMBL93644 ZINC26655439 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191309 COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2)CC1 InChI=1S/C31H41N3O3/c1-37-31(36)34(20-24-10-8-9-11-24)28-16-18-32(19-17-28)21-27-22-33(30(35)26-14-6-3-7-15-26)23-29(27)25-12-4-2-5-13-25/h2-7,12-15,24,27-29H,8-11,16-23H2,1H3/t27-,29+/m0/s1 OKWPNFAMBNYWLU-LMSSTIIKSA-N 50105547 CHEMBL430905::[1-((3S,4S)-1-Benzoyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-cyclopentylmethyl-carbamic acid methyl ester C-C chemokine receptor type 5 31 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105547&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490007 104001264 CHEMBL430905 ZINC26660719 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191310 COc1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C30H34N2O2/c1-34-29-15-9-8-14-27(29)30(33)32-21-26(28(22-32)25-12-6-3-7-13-25)20-31-18-16-24(17-19-31)23-10-4-2-5-11-23/h2-15,24,26,28H,16-22H2,1H3/t26-,28+/m0/s1 ISEJXEBPPGQCCY-XTEPFMGCSA-N 50105548 (2-Methoxy-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL327800 C-C chemokine receptor type 5 140 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105548&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489811 104001265 CHEMBL327800 ZINC26665058 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191311 COc1ccc(cc1)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C30H34N2O2/c1-34-28-14-12-26(13-15-28)30(33)32-21-27(29(22-32)25-10-6-3-7-11-25)20-31-18-16-24(17-19-31)23-8-4-2-5-9-23/h2-15,24,27,29H,16-22H2,1H3/t27-,29+/m0/s1 ZJRYDZGIZTXHJC-LMSSTIIKSA-N 50105545 (4-Methoxy-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL330285 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105545&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489813 104001262 CHEMBL330285 ZINC26653447 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191312 CCN(C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H41N3O2/c1-2-36(33(37)38-26-28-14-8-4-9-15-28)31-18-20-34(21-19-31)23-30-24-35(22-27-12-6-3-7-13-27)25-32(30)29-16-10-5-11-17-29/h3-17,30-32H,2,18-26H2,1H3/t30-,32+/m0/s1 YENQPZRMKBJCFS-XDFJSJKPSA-N 50105546 CHEMBL327801::[1-((3S,4S)-1-Benzyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 9 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105546&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490012 104001263 CHEMBL327801 ZINC26653511 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191313 COc1cccc(c1)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C30H34N2O2/c1-34-28-14-8-13-26(19-28)30(33)32-21-27(29(22-32)25-11-6-3-7-12-25)20-31-17-15-24(16-18-31)23-9-4-2-5-10-23/h2-14,19,24,27,29H,15-18,20-22H2,1H3/t27-,29+/m0/s1 ZQEOVIGCJKBSNH-LMSSTIIKSA-N 50105542 (3-Methoxy-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL91793 C-C chemokine receptor type 5 140 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105542&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489812 104001259 CHEMBL91793 ZINC26665053 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191314 CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H45N3O3/c1-2-36(33(38)39-25-26-12-6-3-7-13-26)30-18-20-34(21-19-30)22-29-23-35(32(37)28-16-10-5-11-17-28)24-31(29)27-14-8-4-9-15-27/h3-4,6-9,12-15,28-31H,2,5,10-11,16-25H2,1H3/t29-,31+/m0/s1 BDRYZFQEQMEVEZ-IGYGKHONSA-N 50105541 CHEMBL329417::[1-((3S,4S)-1-Cyclohexanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105541&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490016 104001258 CHEMBL329417 ZINC06182984 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191315 O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1cccnc1 InChI=1S/C28H31N3O/c32-28(25-12-7-15-29-18-25)31-20-26(27(21-31)24-10-5-2-6-11-24)19-30-16-13-23(14-17-30)22-8-3-1-4-9-22/h1-12,15,18,23,26-27H,13-14,16-17,19-21H2/t26-,27+/m0/s1 CFLAMLZFZMSEKG-RRPNLBNLSA-N 50105549 CHEMBL327354::[(3S,4S)-3-Phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-pyridin-3-yl-methanone C-C chemokine receptor type 5 260 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105549&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489820 104001266 CHEMBL327354 ZINC38154934 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191316 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3ccccc3Cl)CC2)cc1 InChI=1S/C34H37ClN4O5/c1-2-18-38(34(41)44-24-25-12-14-29(15-13-25)39(42)43)28-16-19-36(20-17-28)21-27-22-37(23-31(27)26-8-4-3-5-9-26)33(40)30-10-6-7-11-32(30)35/h2-15,27-28,31H,1,16-24H2/t27-,31+/m0/s1 HMSHDJLBXUWAQR-JTSJOTPCSA-N 50105543 Allyl-{1-[(3S,4S)-1-(2-chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::Allyl-{1-[1-(2-chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL328297 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105543&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490020 104001260 CHEMBL328297 ZINC26658395 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191317 Brc1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C29H31BrN2O/c30-28-14-8-7-13-26(28)29(33)32-20-25(27(21-32)24-11-5-2-6-12-24)19-31-17-15-23(16-18-31)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1 ABBUEGRTOFDVBQ-AHKZPQOWSA-N 50105553 (2-Bromo-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL93168 C-C chemokine receptor type 5 48 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105553&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489817 104001270 CHEMBL93168 ZINC26656575 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191318 Clc1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C29H31ClN2O/c30-28-14-8-7-13-26(28)29(33)32-20-25(27(21-32)24-11-5-2-6-12-24)19-31-17-15-23(16-18-31)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1 ZLNRUMMWEGLEMI-AHKZPQOWSA-N 50105550 (2-Chloro-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL329813 C-C chemokine receptor type 5 52 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105550&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489808 104001267 CHEMBL329813 ZINC26664794 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191319 O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccccc1-c1ccccc1 InChI=1S/C35H36N2O/c38-35(33-19-11-10-18-32(33)29-14-6-2-7-15-29)37-25-31(34(26-37)30-16-8-3-9-17-30)24-36-22-20-28(21-23-36)27-12-4-1-5-13-27/h1-19,28,31,34H,20-26H2/t31-,34+/m0/s1 CCGSVSTYVORZET-AFPLUKJUSA-N 50105551 Biphenyl-2-yl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone::CHEMBL92133 C-C chemokine receptor type 5 89 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105551&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489816 104001268 CHEMBL92133 ZINC26664955 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191320 O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccoc1 InChI=1S/C27H30N2O2/c30-27(24-13-16-31-20-24)29-18-25(26(19-29)23-9-5-2-6-10-23)17-28-14-11-22(12-15-28)21-7-3-1-4-8-21/h1-10,13,16,20,22,25-26H,11-12,14-15,17-19H2/t25-,26+/m0/s1 KZKYZZKICCXPDX-IZZNHLLZSA-N 50105554 CHEMBL329555::Furan-3-yl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone C-C chemokine receptor type 5 33 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105554&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489823 104001271 CHEMBL329555 ZINC38154940 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191321 COC(=O)c1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1 InChI=1S/C31H36N2O2/c1-35-31(34)28-14-8-13-27(19-28)30-23-33(20-24-9-4-2-5-10-24)22-29(30)21-32-17-15-26(16-18-32)25-11-6-3-7-12-25/h2-14,19,26,29-30H,15-18,20-23H2,1H3/t29-,30+/m0/s1 QVUSLFAVRYPDRJ-XZWHSSHBSA-N 50105552 3-[(3S,4S)-1-Benzyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-3-yl]-benzoic acid methyl ester::CHEMBL329382 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105552&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489834 104001269 CHEMBL329382 ZINC26665072 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191322 COC(=O)N(CC1CCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 InChI=1S/C30H43N3O4S/c1-31(38(35,36)29-15-7-4-8-16-29)24-27(26-13-5-3-6-14-26)17-20-32-21-18-28(19-22-32)33(30(34)37-2)23-25-11-9-10-12-25/h3-8,13-16,25,27-28H,9-12,17-24H2,1-2H3/t27-/m1/s1 ZJPBKRIGNVZFLN-HHHXNRCGSA-N 50105556 CHEMBL92013::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-cyclopentylmethyl-carbamic acid methyl ester C-C chemokine receptor type 5 22 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105556&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44325710 104001273 CHEMBL92013 ZINC26660736 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191323 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3cccc4ccccc34)CC2)cc1 InChI=1S/C38H40N4O5/c1-2-21-41(38(44)47-27-28-15-17-33(18-16-28)42(45)46)32-19-22-39(23-20-32)24-31-25-40(26-36(31)30-9-4-3-5-10-30)37(43)35-14-8-12-29-11-6-7-13-34(29)35/h2-18,31-32,36H,1,19-27H2/t31-,36+/m0/s1 FCFLGZCFJAOPAM-SVXHESJVSA-N 50105555 Allyl-{1-[(3S,4S)-1-(naphthalene-1-carbonyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL327241 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105555&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44325665 104001272 CHEMBL327241 ZINC26658877 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191324 COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C31H43N3O2/c1-36-31(35)34(21-26-12-8-9-13-26)29-16-18-32(19-17-29)22-28-23-33(20-25-10-4-2-5-11-25)24-30(28)27-14-6-3-7-15-27/h2-7,10-11,14-15,26,28-30H,8-9,12-13,16-24H2,1H3/t28-,30+/m0/s1 GDFLQYPZLFZIII-MFMCTBQISA-N 50105558 CHEMBL327898::[1-((3S,4S)-1-Benzyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-cyclopentylmethyl-carbamic acid methyl ester C-C chemokine receptor type 5 46 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105558&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490006 104001275 CHEMBL327898 ZINC26655596 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50191325 CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H38ClN3O3/c1-2-37(33(39)40-24-25-11-5-3-6-12-25)28-17-19-35(20-18-28)21-27-22-36(23-30(27)26-13-7-4-8-14-26)32(38)29-15-9-10-16-31(29)34/h3-16,27-28,30H,2,17-24H2,1H3/t27-,30+/m0/s1 BCGZEKDZDMYASL-BHBYDHKZSA-N 50105557 CHEMBL93851::{1-[(3S,4S)-1-(2-Chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00545-5 10.7270/Q2F47NFC 11591514 Hale, JJ; Budhu, RJ; Holson, EB; Finke, PE; Oates, B; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, S; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, E Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105557&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490014 104001274 CHEMBL93851 ZINC03921846 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193715 CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C38H45N5O4/c1-3-42(37(46)47-26-28-12-6-4-7-13-28)31-18-21-41(22-19-31)23-20-38(2,30-14-8-5-9-15-30)27-43-35(44)34(40-36(43)45)24-29-25-39-33-17-11-10-16-32(29)33/h4-17,25,31,39,44H,3,18-24,26-27H2,1-2H3,(H,40,45) XICJSXXAPJVMHS-UHFFFAOYSA-N 50106931 CHEMBL106907::Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931825 104002360 CHEMBL106907 ZINC26840032 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193718 CC(CCN1CCC(CC1)c1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1 InChI=1S/C34H37ClN4O2/c1-34(27-10-7-11-28(35)21-27,16-19-38-17-14-25(15-18-38)24-8-3-2-4-9-24)23-39-32(40)31(37-33(39)41)20-26-22-36-30-13-6-5-12-29(26)30/h2-13,21-22,25,36,40H,14-20,23H2,1H3,(H,37,41) VYCNJCZUWUQZDD-UHFFFAOYSA-N 50106933 (R)-3-[2-(3-Chloro-phenyl)-2-methyl-4-(4-phenyl-piperidin-1-yl)-butyl]-5-(1H-indol-3-ylmethyl)-imidazolidine-2,4-dione::CHEMBL107749 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106933&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931827 104002362 CHEMBL107749 ZINC26839074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193721 CCN(C1CCN(CCC(C)(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1 InChI=1S/C38H44ClN5O4/c1-3-43(37(47)48-25-27-10-5-4-6-11-27)31-16-19-42(20-17-31)21-18-38(2,29-12-9-13-30(39)23-29)26-44-35(45)34(41-36(44)46)22-28-24-40-33-15-8-7-14-32(28)33/h4-15,23-24,31,40,45H,3,16-22,25-26H2,1-2H3,(H,41,46) ZBHARDAHKZLOPI-UHFFFAOYSA-N 50106935 (1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-butyl}-piperidin-4-yl)-ethyl-carbamic acid benzyl ester::CHEMBL319233 C-C chemokine receptor type 5 77 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931829 104002364 CHEMBL319233 ZINC26835871 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193722 Oc1c([nH]c(=O)n1CC(CCN1CCC2(CC(=O)c3ccccc23)CC1)c1cccc(Cl)c1)-c1ccccc1 InChI=1S/C32H32ClN3O3/c33-25-10-6-9-23(19-25)24(21-36-30(38)29(34-31(36)39)22-7-2-1-3-8-22)13-16-35-17-14-32(15-18-35)20-28(37)26-11-4-5-12-27(26)32/h1-12,19,24,38H,13-18,20-21H2,(H,34,39) ZIYWSDPSYIOGJZ-UHFFFAOYSA-N 50106936 3-{2-(3-chlorophenyl)-4-[3-oxospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl]butyl}-5-phenyl-(5R)-tetrahydro-1H-2,4-imidazoledione::CHEMBL419172 C-C chemokine receptor type 5 606 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931830 104002365 CHEMBL419172 ZINC26833529 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193724 Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1cccc(Cl)c1 InChI=1S/C38H42ClN5O4/c1-2-18-43(38(47)48-26-27-9-4-3-5-10-27)32-16-20-42(21-17-32)19-15-29(28-11-8-12-31(39)22-28)25-44-36(45)35(41-37(44)46)23-30-24-40-34-14-7-6-13-33(30)34/h2-14,22,24,29,32,40,45H,1,15-21,23,25-26H2,(H,41,46) SADUDVAXDUKTFI-UHFFFAOYSA-N 50106929 Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL107128 C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106929&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931823 104002358 CHEMBL107128 ZINC26840559 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193726 Oc1c(Cc2ccccc2)[nH]c(=O)n1CC(CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1 InChI=1S/C31H34ClN3O2/c32-28-13-7-12-26(21-28)27(16-19-34-17-14-25(15-18-34)24-10-5-2-6-11-24)22-35-30(36)29(33-31(35)37)20-23-8-3-1-4-9-23/h1-13,21,25,27,36H,14-20,22H2,(H,33,37) FIPMJIMXFNWXQR-UHFFFAOYSA-N 50106937 (R)-5-Benzyl-3-[2-(3-chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-imidazolidine-2,4-dione::CHEMBL105109 C-C chemokine receptor type 5 250 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106937&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931831 104002366 CHEMBL105109 ZINC26831230 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193730 CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1 InChI=1S/C37H42ClN5O4/c1-2-42(37(46)47-25-26-9-4-3-5-10-26)31-16-19-41(20-17-31)18-15-28(27-11-8-12-30(38)21-27)24-43-35(44)34(40-36(43)45)22-29-23-39-33-14-7-6-13-32(29)33/h3-14,21,23,28,31,39,44H,2,15-20,22,24-25H2,1H3,(H,40,45) GPWGUUTTZSMWMP-UHFFFAOYSA-N 50106932 (1-{3-(3-Chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-butyl}-piperidin-4-yl)-ethyl-carbamic acid benzyl ester::CHEMBL105975 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106932&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931826 104002361 CHEMBL105975 ZINC26843052 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193736 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 InChI=1S/C31H34Cl2N2O2S/c1-34(30(36)19-23-7-3-2-4-8-23)21-25(24-11-12-27(32)28(33)20-24)13-16-35-17-14-31(15-18-35)22-38(37)29-10-6-5-9-26(29)31/h2-12,20,25H,13-19,21-22H2,1H3/t25-,38?/m1/s1 NJTRIIAWECXRRV-PNRFPLAFSA-N 50096513 1-oxo-1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1N-methyl-2-phenylacetamide::1N-[2-(3,4-dichlorophenyl)-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]-1-yl-(2S)-butyl]-1-oxide-1N-methyl-2-phenylacetamide::CHEMBL314342 C-C chemokine receptor type 5 640 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096513&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481736 103994027 CHEMBL314342 ZINC26579512 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193738 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-36(33)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-,36?/m1/s1 ITHOBZKJMFCARD-LHTANEHXSA-N 50096540 (2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane::CHEMBL83338::N-{(S)-2-(3-chloro-phenyl)-4-[4-(1-oxo-spiro-(1-benzothiophene-3,4-piperidin-1-yl)]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096540&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481702 103994054 CHEMBL83338 ZINC14128065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193742 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H32Cl2N2O3S2/c1-32(38(35,36)24-7-3-2-4-8-24)20-23(22-11-12-26(30)27(31)19-22)13-16-33-17-14-29(15-18-33)21-37(34)28-10-6-5-9-25(28)29/h2-12,19,23H,13-18,20-21H2,1H3/t23-,37?/m1/s1 AKMPPEHIIYDFBC-FIPDIQNESA-N 50096515 (2S)-2-(3,4-dichlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[1-oxo-2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL79504 C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 471179 103994029 CHEMBL79504 ZINC26495576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193743 Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1 InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45) YLWMNMKULMUPMT-UHFFFAOYSA-N 50106939 Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL104793 C-C chemokine receptor type 5 7 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931833 104002368 CHEMBL104793 ZINC26834859 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193750 Oc1c(Cc2ccccc2)[nH]c(=O)n1CC(CCN1CCC2(CC(=O)c3ccccc23)CC1)c1cccc(Cl)c1 InChI=1S/C33H34ClN3O3/c34-26-10-6-9-24(20-26)25(22-37-31(39)29(35-32(37)40)19-23-7-2-1-3-8-23)13-16-36-17-14-33(15-18-36)21-30(38)27-11-4-5-12-28(27)33/h1-12,20,25,39H,13-19,21-22H2,(H,35,40) BYYMHDXFTZZETA-UHFFFAOYSA-N 50106941 5-benzyl-3-{2-(3-chlorophenyl)-4-[3-oxospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl]butyl}-(5R)-tetrahydro-1H-2,4-imidazoledione::CHEMBL319697 C-C chemokine receptor type 5 200 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931835 104002370 CHEMBL319697 ZINC26833537 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193757 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1ccccc1 InChI=1S/C39H45N5O4/c1-3-21-43(38(47)48-27-29-12-6-4-7-13-29)32-18-22-42(23-19-32)24-20-39(2,31-14-8-5-9-15-31)28-44-36(45)35(41-37(44)46)25-30-26-40-34-17-11-10-16-33(30)34/h3-17,26,32,40,45H,1,18-25,27-28H2,2H3,(H,41,46) ZPUKCJCLSSHLSV-UHFFFAOYSA-N 50106930 Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL104698 C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106930&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931824 104002359 CHEMBL104698 ZINC26834505 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193758 CCN(C1CCN(CCC(Cn2c(O)c(Cc3c[nH]c4ccccc34)[nH]c2=O)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C37H43N5O4/c1-2-41(37(45)46-26-27-11-5-3-6-12-27)31-18-21-40(22-19-31)20-17-29(28-13-7-4-8-14-28)25-42-35(43)34(39-36(42)44)23-30-24-38-33-16-10-9-15-32(30)33/h3-16,24,29,31,38,43H,2,17-23,25-26H2,1H3,(H,39,44) VFJWEZDOYLGUHL-UHFFFAOYSA-N 50106934 CHEMBL317860::Ethyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester C-C chemokine receptor type 5 13 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931828 104002363 CHEMBL317860 ZINC26843063 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193762 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1 InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,41,46H,1,16-23,26-27H2,2H3,(H,42,47) TTXCZSKJCTUHND-UHFFFAOYSA-N 50106938 Allyl-(1-{3-(3-chloro-phenyl)-4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL107439 C-C chemokine receptor type 5 32 ChEMBL 10.1016/s0960-894x(01)00654-0 10.7270/Q2KK9B26 11720851 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106938&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931832 104002367 CHEMBL107439 ZINC26840863 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193766 [O-][N+](=O)c1cn(CC(CCN2CCC(CC2)N(CC=C)C(=O)OCc2ccc(cc2)[N+]([O-])=O)c2ccccc2)cn1 InChI=1S/C29H34N6O6/c1-2-15-33(29(36)41-21-23-8-10-27(11-9-23)34(37)38)26-13-17-31(18-14-26)16-12-25(24-6-4-3-5-7-24)19-32-20-28(30-22-32)35(39)40/h2-11,20,22,25-26H,1,12-19,21H2 APUITEDEUGQVAF-UHFFFAOYSA-N 50106942 Allyl-{1-[4-(4-nitro-imidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL322439 C-C chemokine receptor type 5 15 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106942&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483336 104002371 CHEMBL322439 ZINC26831717 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193769 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cnc(CC#N)c3)c3ccccc3)CC2)cc1 InChI=1S/C31H36N6O4/c1-2-17-36(31(38)41-23-25-8-10-30(11-9-25)37(39)40)29-14-19-34(20-15-29)18-13-27(26-6-4-3-5-7-26)21-35-22-28(12-16-32)33-24-35/h2-11,22,24,27,29H,1,12-15,17-21,23H2 JYWFXOWFPAQUHZ-UHFFFAOYSA-N 50106946 Allyl-{1-[4-(4-cyanomethyl-imidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL107750 C-C chemokine receptor type 5 15 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106946&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483335 104002375 CHEMBL107750 ZINC26839550 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193772 CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)26-10-3-2-4-11-26)21-24(23-8-7-9-25(30)20-23)14-17-32-18-15-29(16-19-32)22-36(33)28-13-6-5-12-27(28)29/h2-13,20,24H,14-19,21-22H2,1H3/t24-,36?/m1/s1 ITHOBZKJMFCARD-LHTANEHXSA-N 50096540 (2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide::1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1-oxo-1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane::CHEMBL83338::N-{(S)-2-(3-chloro-phenyl)-4-[4-(1-oxo-spiro-(1-benzothiophene-3,4-piperidin-1-yl)]-butyl}-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 35 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096540&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5481702 103994054 CHEMBL83338 ZINC14128065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193774 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3nnnc3-c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C33H37N7O4/c1-2-20-38(33(41)44-25-26-13-15-31(16-14-26)40(42)43)30-18-22-37(23-19-30)21-17-29(27-9-5-3-6-10-27)24-39-32(34-35-36-39)28-11-7-4-8-12-28/h2-16,29-30H,1,17-25H2 TZHZQMLZDARCRX-UHFFFAOYSA-N 50106950 Allyl-{1-[3-phenyl-4-(5-phenyl-tetrazol-1-yl)-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL105460 C-C chemokine receptor type 5 335 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106950&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483333 104002379 CHEMBL105460 ZINC26831101 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193775 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cnc(c3)-c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C35H39N5O4/c1-2-20-39(35(41)44-26-28-13-15-33(16-14-28)40(42)43)32-18-22-37(23-19-32)21-17-31(29-9-5-3-6-10-29)24-38-25-34(36-27-38)30-11-7-4-8-12-30/h2-16,25,27,31-32H,1,17-24,26H2 MEKPEYUUFGBTLQ-UHFFFAOYSA-N 50106951 Allyl-{1-[3-phenyl-4-(4-phenyl-imidazol-1-yl)-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL320365 C-C chemokine receptor type 5 23 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106951&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483334 104002380 CHEMBL320365 ZINC26831110 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193779 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(Cn1cnc2ccccc12)c1ccccc1 InChI=1S/C34H40N4O2/c1-3-21-38(33(39)40-25-28-12-6-4-7-13-28)30-18-22-36(23-19-30)24-20-34(2,29-14-8-5-9-15-29)26-37-27-35-31-16-10-11-17-32(31)37/h3-17,27,30H,1,18-26H2,2H3 BZHHPFLVFONUOE-UHFFFAOYSA-N 50106948 Allyl-[1-(4-benzoimidazol-1-yl-3-methyl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid benzyl ester::CHEMBL105659 C-C chemokine receptor type 5 112 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106948&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483343 104002377 CHEMBL105659 ZINC26832762 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193782 CCc1nc2ccccc2n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 InChI=1S/C35H41N5O4/c1-3-21-38(35(41)44-26-27-14-16-31(17-15-27)40(42)43)30-19-23-37(24-20-30)22-18-29(28-10-6-5-7-11-28)25-39-33-13-9-8-12-32(33)36-34(39)4-2/h3,5-17,29-30H,1,4,18-26H2,2H3 GJIXUOZRDMDHKV-UHFFFAOYSA-N 50106949 Allyl-{1-[4-(2-ethyl-benzoimidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL319622 C-C chemokine receptor type 5 48 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106949&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483342 104002378 CHEMBL319622 ZINC26831128 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193785 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3nnc(n3)-c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C33H37N7O4/c1-2-20-38(33(41)44-25-26-13-15-31(16-14-26)40(42)43)30-18-22-37(23-19-30)21-17-29(27-9-5-3-6-10-27)24-39-35-32(34-36-39)28-11-7-4-8-12-28/h2-16,29-30H,1,17-25H2 MCXBRDHNYBIKSB-UHFFFAOYSA-N 50106954 Allyl-{1-[3-phenyl-4-(5-phenyl-tetrazol-2-yl)-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL104464 C-C chemokine receptor type 5 111 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106954&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483332 104002383 CHEMBL104464 ZINC26834160 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193786 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cnc4ccccc34)c3ccccc3)CC2)cc1 InChI=1S/C33H37N5O4/c1-2-19-37(33(39)42-24-26-12-14-30(15-13-26)38(40)41)29-17-21-35(22-18-29)20-16-28(27-8-4-3-5-9-27)23-36-25-34-31-10-6-7-11-32(31)36/h2-15,25,28-29H,1,16-24H2 YQWSBFBPYMXNID-UHFFFAOYSA-N 50106952 Allyl-[1-(4-benzoimidazol-1-yl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL106803 C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106952&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483340 104002381 CHEMBL106803 ZINC14128287 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193788 CCc1nc2ccccc2n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1 InChI=1S/C35H42N4O2/c1-3-22-38(35(40)41-27-28-13-7-5-8-14-28)31-20-24-37(25-21-31)23-19-30(29-15-9-6-10-16-29)26-39-33-18-12-11-17-32(33)36-34(39)4-2/h3,5-18,30-31H,1,4,19-27H2,2H3 RBVAVRHWTOQOLQ-UHFFFAOYSA-N 50106945 Allyl-{1-[4-(2-ethyl-benzoimidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid benzyl ester::CHEMBL321539 C-C chemokine receptor type 5 246 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106945&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483341 104002374 CHEMBL321539 ZINC26838356 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193789 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cc4ccccc4n3)c3ccccc3)CC2)cc1 InChI=1S/C33H37N5O4/c1-2-19-37(33(39)42-25-26-12-14-31(15-13-26)38(40)41)30-17-21-35(22-18-30)20-16-28(27-8-4-3-5-9-27)23-36-24-29-10-6-7-11-32(29)34-36/h2-15,24,28,30H,1,16-23,25H2 OJCFQEUHBKWABV-UHFFFAOYSA-N 50106955 Allyl-[1-(4-indazol-2-yl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL106231 C-C chemokine receptor type 5 27 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106955&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483331 104002384 CHEMBL106231 ZINC26832840 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193790 C=CCN(C1CCN(CCC(Cn2cnc3ccccc23)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H38N4O2/c1-2-20-37(33(38)39-25-27-11-5-3-6-12-27)30-18-22-35(23-19-30)21-17-29(28-13-7-4-8-14-28)24-36-26-34-31-15-9-10-16-32(31)36/h2-16,26,29-30H,1,17-25H2 LMLXAFRSRSRFFX-UHFFFAOYSA-N 50106947 Allyl-[1-(4-benzoimidazol-1-yl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid benzyl ester::CHEMBL104474 C-C chemokine receptor type 5 25 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106947&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483339 104002376 CHEMBL104474 ZINC26838149 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193794 Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1 InChI=1S/C38H43N5O4/c1-2-20-42(38(46)47-27-28-11-5-3-6-12-28)32-18-22-41(23-19-32)21-17-30(29-13-7-4-8-14-29)26-43-36(44)35(40-37(43)45)24-31-25-39-34-16-10-9-15-33(31)34/h2-16,25,30,32,39,44H,1,17-24,26-27H2,(H,40,45) YLWMNMKULMUPMT-UHFFFAOYSA-N 50106939 Allyl-(1-{4-[(R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-phenyl-butyl}-piperidin-4-yl)-carbamic acid benzyl ester::CHEMBL104793 C-C chemokine receptor type 5 7 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91931833 104002368 CHEMBL104793 ZINC26834859 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193797 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)(C1Nc2ccccc2S(=O)(=O)N1)c1ccccc1 InChI=1S/C33H40N4O4S/c1-3-21-37(32(38)41-25-26-12-6-4-7-13-26)28-18-22-36(23-19-28)24-20-33(2,27-14-8-5-9-15-27)31-34-29-16-10-11-17-30(29)42(39,40)35-31/h3-17,28,31,34-35H,1,18-25H2,2H3 MJDPZVNLAHDUND-UHFFFAOYSA-N 50106953 Allyl-{1-[3-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-benzo[1,2,4]thiadiazin-3-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid benzyl ester::CHEMBL104867 C-C chemokine receptor type 5 55 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483345 104002382 CHEMBL104867 ZINC26835415 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193798 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cncn3)c3ccccc3)CC2)cc1 InChI=1S/C28H34N6O4/c1-2-15-33(28(35)38-20-23-8-10-27(11-9-23)34(36)37)26-13-17-31(18-14-26)16-12-25(19-32-22-29-21-30-32)24-6-4-3-5-7-24/h2-11,21-22,25-26H,1,12-20H2 IDGQZNYHJUDSLV-UHFFFAOYSA-N 50106956 Allyl-[1-(3-phenyl-4-[1,2,4]triazol-1-yl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL105606 C-C chemokine receptor type 5 28 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483338 104002385 CHEMBL105606 ZINC26832539 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193799 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cnc(Cl)c3Cl)c3ccccc3)CC2)cc1 InChI=1S/C29H33Cl2N5O4/c1-2-15-35(29(37)40-20-22-8-10-26(11-9-22)36(38)39)25-13-17-33(18-14-25)16-12-24(23-6-4-3-5-7-23)19-34-21-32-27(30)28(34)31/h2-11,21,24-25H,1,12-20H2 DWDIGKPVUXYARC-UHFFFAOYSA-N 50106957 Allyl-{1-[4-(4,5-dichloro-imidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL105572 C-C chemokine receptor type 5 16 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483337 104002386 CHEMBL105572 ZINC26833170 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193811 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)(Cn1cnc2ccccc12)c1ccccc1 InChI=1S/C34H39N5O4/c1-3-20-38(33(40)43-24-27-13-15-30(16-14-27)39(41)42)29-17-21-36(22-18-29)23-19-34(2,28-9-5-4-6-10-28)25-37-26-35-31-11-7-8-12-32(31)37/h3-16,26,29H,1,17-25H2,2H3 ZEZTUVDVWYRRGY-UHFFFAOYSA-N 50106943 Allyl-[1-(4-benzoimidazol-1-yl-3-methyl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL105570 C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106943&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483344 104002372 CHEMBL105570 ZINC26831119 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193813 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3ncc4ccccc34)c3ccccc3)CC2)cc1 InChI=1S/C33H37N5O4/c1-2-19-36(33(39)42-25-26-12-14-31(15-13-26)38(40)41)30-17-21-35(22-18-30)20-16-29(27-8-4-3-5-9-27)24-37-32-11-7-6-10-28(32)23-34-37/h2-15,23,29-30H,1,16-22,24-25H2 QKPNJCLNLINBDN-UHFFFAOYSA-N 50106958 Allyl-[1-(4-indazol-1-yl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL325357 C-C chemokine receptor type 5 15 ChEMBL 10.1016/s0960-894x(01)00655-2 10.7270/Q2FT8K91 11720852 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106958&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483330 104002387 CHEMBL325357 ZINC26839542 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193902 OC1(CCCc2ccccc2)CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)S(=O)(=O)c2ccc(s2)-c2ccccn2)CC1 InChI=1S/C34H39N3O3S2/c38-34(18-9-12-27-10-3-1-4-11-27)19-22-36(23-20-34)24-29-25-37(26-30(29)28-13-5-2-6-14-28)42(39,40)33-17-16-32(41-33)31-15-7-8-21-35-31/h1-8,10-11,13-17,21,29-30,38H,9,12,18-20,22-26H2/t29-,30+/m0/s1 NOBMOTJUFCITOE-XZWHSSHBSA-N 50106990 4-(3-Phenyl-propyl)-1-[(3S,4S)-4-phenyl-1-(5-pyridin-2-yl-thiophene-2-sulfonyl)-pyrrolidin-3-ylmethyl]-piperidin-4-ol::CHEMBL107425 C-C chemokine receptor type 5 41 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106990&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489313 104002417 CHEMBL107425 ZINC26836909 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193903 CN(CC(CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(s1)-c1ccccn1 InChI=1S/C34H41N3O2S2/c1-36(41(38,39)34-19-18-33(40-34)32-17-8-9-23-35-32)27-31(30-15-6-3-7-16-30)22-26-37-24-20-29(21-25-37)14-10-13-28-11-4-2-5-12-28/h2-9,11-12,15-19,23,29,31H,10,13-14,20-22,24-27H2,1H3 GILCGZNDDDZZSV-UHFFFAOYSA-N 50106991 5-Pyridin-2-yl-thiophene-2-sulfonic acid methyl-{2-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-yl]-butyl}-amide::CHEMBL106569 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106991&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489308 104002418 CHEMBL106569 ZINC26844863 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193904 O=S(=O)(N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)c1cccs1 InChI=1S/C29H36N2O2S2/c32-35(33,29-15-8-20-34-29)31-22-27(28(23-31)26-13-5-2-6-14-26)21-30-18-16-25(17-19-30)12-7-11-24-9-3-1-4-10-24/h1-6,8-10,13-15,20,25,27-28H,7,11-12,16-19,21-23H2/t27-,28+/m0/s1 XFUFLHWCWMCAGA-WUFINQPMSA-N 50106992 4-(3-Phenyl-propyl)-1-[(3S,4S)-4-phenyl-1-(thiophene-2-sulfonyl)-pyrrolidin-3-ylmethyl]-piperidine::CHEMBL104628 C-C chemokine receptor type 5 25 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106992&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489312 104002419 CHEMBL104628 ZINC26837002 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193905 CN(CC(CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(s1)-c1ccccn1 InChI=1S/C34H41N3O3S2/c1-36(42(39,40)33-18-17-32(41-33)31-16-8-9-23-35-31)27-30(29-14-6-3-7-15-29)19-24-37-25-21-34(38,22-26-37)20-10-13-28-11-4-2-5-12-28/h2-9,11-12,14-18,23,30,38H,10,13,19-22,24-27H2,1H3 CPCUDQSFKDHFRK-UHFFFAOYSA-N 50106993 5-Pyridin-2-yl-thiophene-2-sulfonic acid {4-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-yl]-2-phenyl-butyl}-methyl-amide::CHEMBL326111 C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106993&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489307 104002420 CHEMBL326111 ZINC26837949 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193906 CN(CC(CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 InChI=1S/C29H38N2O3S2/c1-30(36(33,34)28-15-9-23-35-28)24-27(26-13-6-3-7-14-26)16-20-31-21-18-29(32,19-22-31)17-8-12-25-10-4-2-5-11-25/h2-7,9-11,13-15,23,27,32H,8,12,16-22,24H2,1H3 CWHDMLNZVZVXIE-UHFFFAOYSA-N 50106994 CHEMBL421598::Thiophene-2-sulfonic acid {4-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-yl]-2-phenyl-butyl}-methyl-amide C-C chemokine receptor type 5 6.5 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106994&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489305 104002421 CHEMBL421598 ZINC26848348 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193907 OC1(CCCc2ccccc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C32H46N2O/c35-32(18-10-15-27-11-4-1-5-12-27)19-21-33(22-20-32)24-30-25-34(23-28-13-6-2-7-14-28)26-31(30)29-16-8-3-9-17-29/h1,3-5,8-9,11-12,16-17,28,30-31,35H,2,6-7,10,13-15,18-26H2/t30-,31+/m0/s1 VSVCTEVBQPUVMW-IOWSJCHKSA-N 50106995 1-((3S,4S)-1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-phenyl-propyl)-piperidin-4-ol::1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-phenyl-propyl)-piperidin-4-ol::CHEMBL317710 C-C chemokine receptor type 5 1 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106995&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489315 104002422 CHEMBL317710 ZINC13819404 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193908 CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3/t26-/m1/s1 BALBRXHVFNIXBS-AREMUKBSSA-N 50096557 CHEMBL312701::N-[(S)-2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide::N-[2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 30 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096557&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478307 103994071 CHEMBL312701 ZINC03916933 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193909 CN(CC(CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 InChI=1S/C29H38N2O2S2/c1-30(35(32,33)29-16-9-23-34-29)24-28(27-14-6-3-7-15-27)19-22-31-20-17-26(18-21-31)13-8-12-25-10-4-2-5-11-25/h2-7,9-11,14-16,23,26,28H,8,12-13,17-22,24H2,1H3 NPGJNUNXJQWHMD-UHFFFAOYSA-N 50106996 CHEMBL105987::Thiophene-2-sulfonic acid methyl-{2-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-yl]-butyl}-amide C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106996&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489306 104002423 CHEMBL105987 ZINC26845491 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193910 C(CC1CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 InChI=1S/C32H46N2/c1-4-11-27(12-5-1)15-10-16-28-19-21-33(22-20-28)24-31-25-34(23-29-13-6-2-7-14-29)26-32(31)30-17-8-3-9-18-30/h1,3-5,8-9,11-12,17-18,28-29,31-32H,2,6-7,10,13-16,19-26H2/t31-,32+/m0/s1 JWSRHFLPBLYQPA-AJQTZOPKSA-N 50106997 1-((3S,4S)-1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-phenyl-propyl)-piperidine::CHEMBL321267 C-C chemokine receptor type 5 6.5 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106997&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489316 104002424 CHEMBL321267 ZINC52986899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193911 O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C29H32N2O/c32-29(26-14-8-3-9-15-26)31-21-27(28(22-31)25-12-6-2-7-13-25)20-30-18-16-24(17-19-30)23-10-4-1-5-11-23/h1-15,24,27-28H,16-22H2/t27-,28+/m0/s1 CGHMTSVQIAJUTD-WUFINQPMSA-N 50105518 CHEMBL327846::Phenyl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone C-C chemokine receptor type 5 67 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105518&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489806 104001235 CHEMBL327846 ZINC38154941 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193912 OC1(CCCc2ccccc2)CCN(CC2CN(C[C@@H]2c2ccccc2)S(=O)(=O)c2cccs2)CC1 InChI=1S/C29H36N2O3S2/c32-29(15-7-11-24-9-3-1-4-10-24)16-18-30(19-17-29)21-26-22-31(36(33,34)28-14-8-20-35-28)23-27(26)25-12-5-2-6-13-25/h1-6,8-10,12-14,20,26-27,32H,7,11,15-19,21-23H2/t26?,27-/m1/s1 MDZZMKUJQUEUHZ-SSYAZFEXSA-N 50106998 4-(3-Phenyl-propyl)-1-[4-phenyl-1-(thiophene-2-sulfonyl)-pyrrolidin-3-ylmethyl]-piperidin-4-ol::CHEMBL432010 C-C chemokine receptor type 5 20 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106998&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44336415 104002425 CHEMBL432010 ZINC26844276 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50193913 O=S(=O)(N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)c1ccc(s1)-c1ccccn1 InChI=1S/C34H39N3O2S2/c38-41(39,34-18-17-33(40-34)32-16-7-8-21-35-32)37-25-30(31(26-37)29-14-5-2-6-15-29)24-36-22-19-28(20-23-36)13-9-12-27-10-3-1-4-11-27/h1-8,10-11,14-18,21,28,30-31H,9,12-13,19-20,22-26H2/t30-,31+/m0/s1 IMKUHYXVQQEXJP-IOWSJCHKSA-N 50106999 2-(5-{(3S,4S)-3-Phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidine-1-sulfonyl}-thiophen-2-yl)-pyridine::CHEMBL107170 C-C chemokine receptor type 5 60 ChEMBL 10.1016/s0960-894x(01)00652-7 10.7270/Q2XW4J4W 11720860 Willoughby, CA; Berk, SC; Rosauer, KG; Degrado, S; Chapman, KT; Gould, SL; Springer, MS; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106999&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489314 104002426 CHEMBL107170 ZINC26839609 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199673 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN4O[C@@H](C[C@H]4[C@@H]3c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C35H40N4O5/c1-2-19-37(35(40)43-25-26-13-15-31(16-14-26)39(41)42)30-17-20-36(21-18-30)23-29-24-38-32(34(29)28-11-7-4-8-12-28)22-33(44-38)27-9-5-3-6-10-27/h2-16,29-30,32-34H,1,17-25H2/t29-,32-,33-,34+/m0/s1 PTAWGYLKONHXLB-TUONYQKMSA-N 50110086 Allyl-[1-((2S,3aS,4S,5S)-2,4-diphenyl-hexahydro-pyrrolo[1,2-b]isoxazol-5-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL435259 C-C chemokine receptor type 5 2.5 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110086&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10008665 104004974 CHEMBL435259 ZINC27744202 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199674 C([C@H]1[C@@H]2C[C@H](ON2C[C@@H]1c1ccccc1)c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C30H34N2O/c1-4-10-23(11-5-1)24-16-18-31(19-17-24)21-28-27(25-12-6-2-7-13-25)22-32-29(28)20-30(33-32)26-14-8-3-9-15-26/h1-15,24,27-30H,16-22H2/t27-,28-,29+,30+/m1/s1 XCTHXSXPXQNXKY-XAZDILKDSA-N 50110087 (2S,3aS,4S,5S)-2,5-Diphenyl-4-(4-phenyl-piperidin-1-ylmethyl)-hexahydro-pyrrolo[1,2-b]isoxazole::(2S,3aS,4S,5S)-2,5-diphenyl-4-((4-phenylpiperidin-1-yl)methyl)hexahydropyrrolo[1,2-b]isoxazole::CHEMBL161594 C-C chemokine receptor type 5 30 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110087&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44374086 104004975 CHEMBL161594 ZINC13439113 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199675 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN4OC5(C[C@H]4[C@@H]3c3ccccc3)CCCCC5)CC2)cc1 InChI=1S/C34H44N4O5/c1-2-19-36(33(39)42-25-26-11-13-30(14-12-26)38(40)41)29-15-20-35(21-16-29)23-28-24-37-31(32(28)27-9-5-3-6-10-27)22-34(43-37)17-7-4-8-18-34/h2-3,5-6,9-14,28-29,31-32H,1,4,7-8,15-25H2/t28-,31-,32+/m0/s1 OODATDPYEDGHAS-JWBZKWLISA-N 50110088 4N-allyl-4N-[4-nitrobenzyloxycarboyl]-1-[4'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-5-ylmethyl]hexahydro-4-pyridinamine::CHEMBL157491 C-C chemokine receptor type 5 0.130000 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110088&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373756 104004976 CHEMBL157491 ZINC27738609 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199676 CCN(C1CCN(C[C@H]2[C@@H]3CC4(CCCCC4)ON3C[C@@H]2c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H45N3O3/c1-2-35(32(37)38-25-26-12-6-3-7-13-26)28-16-20-34(21-17-28)23-30-29(27-14-8-4-9-15-27)24-36-31(30)22-33(39-36)18-10-5-11-19-33/h3-4,6-9,12-15,28-31H,2,5,10-11,16-25H2,1H3/t29-,30-,31+/m1/s1 ZTKPOMSHWQYZEG-OLUZHXLYSA-N 50110089 4N-ethyl-4N-[benzyloxycarbonyl]-1-[5'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-4-ylmethyl]hexahydro-4-pyridinamine::CHEMBL161480::benzyl ethyl(1-(((3a'S,4'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,2'-pyrrolo[1,2-b]isoxazole]-4'-yl)methyl)piperidin-4-yl)carbamate C-C chemokine receptor type 5 86 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110089&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373748 104004977 CHEMBL161480 ZINC27741015 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199677 C([C@H]1CN2O[C@@H](C[C@H]2[C@@H]1c1ccccc1)c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C30H34N2O/c1-4-10-23(11-5-1)24-16-18-31(19-17-24)21-27-22-32-28(30(27)26-14-8-3-9-15-26)20-29(33-32)25-12-6-2-7-13-25/h1-15,24,27-30H,16-22H2/t27-,28-,29-,30+/m0/s1 ZQOGOOYTWRIHLO-GCXHJFECSA-N 50110090 (2S,3aS,4S,5S)-2,4-Diphenyl-5-(4-phenyl-piperidin-1-ylmethyl)-hexahydro-pyrrolo[1,2-b]isoxazole::CHEMBL159097 C-C chemokine receptor type 5 27 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110090&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373672 104004978 CHEMBL159097 ZINC13439119 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199678 C([C@H]1CN2OC3(C[C@H]2[C@@H]1c1ccccc1)CCCCC3)N1CCC(CC1)c1ccccc1 InChI=1S/C29H38N2O/c1-4-10-23(11-5-1)24-14-18-30(19-15-24)21-26-22-31-27(28(26)25-12-6-2-7-13-25)20-29(32-31)16-8-3-9-17-29/h1-2,4-7,10-13,24,26-28H,3,8-9,14-22H2/t26-,27-,28+/m0/s1 GGVXVASTOBIZMI-HZFUHODCSA-N 50110091 4'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-5-yl(4-phenylhexahydro-1-pyridinyl)methane::CHEMBL350027 C-C chemokine receptor type 5 43 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110091&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44374017 104004979 CHEMBL350027 ZINC13439130 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199679 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3[C@@H]4C[C@H](ON4C[C@@H]3c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C35H40N4O5/c1-2-19-37(35(40)43-25-26-13-15-30(16-14-26)39(41)42)29-17-20-36(21-18-29)23-32-31(27-9-5-3-6-10-27)24-38-33(32)22-34(44-38)28-11-7-4-8-12-28/h2-16,29,31-34H,1,17-25H2/t31-,32-,33+,34+/m1/s1 VXZZROBKPJSXEG-WZJLIZBTSA-N 50110092 Allyl-[1-((2S,3aS,4S,5S)-2,5-diphenyl-hexahydro-pyrrolo[1,2-b]isoxazol-4-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL158754 C-C chemokine receptor type 5 6 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110092&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373926 104004980 CHEMBL158754 ZINC27735745 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199680 C(CC1CCN(C[C@H]2CN3OC4(C[C@H]3[C@@H]2c2ccccc2)CCCCC4)CC1)Cc1ccccc1 InChI=1S/C32H44N2O/c1-4-11-26(12-5-1)13-10-14-27-17-21-33(22-18-27)24-29-25-34-30(31(29)28-15-6-2-7-16-28)23-32(35-34)19-8-3-9-20-32/h1-2,4-7,11-12,15-16,27,29-31H,3,8-10,13-14,17-25H2/t29-,30-,31+/m0/s1 SFEOCRUUVGRXGC-RWSKJCERSA-N 50110093 1-phenyl-3-{1-[4'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-5-ylmethyl]hexahydro-4-pyridinyl}propane::CHEMBL159018 C-C chemokine receptor type 5 8 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110093&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44374016 104004981 CHEMBL159018 ZINC13439134 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199681 C(CC1CCN(C[C@H]2[C@@H]3CC4(CCCCC4)ON3C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 InChI=1S/C32H44N2O/c1-4-11-26(12-5-1)13-10-14-27-17-21-33(22-18-27)24-30-29(28-15-6-2-7-16-28)25-34-31(30)23-32(35-34)19-8-3-9-20-32/h1-2,4-7,11-12,15-16,27,29-31H,3,8-10,13-14,17-25H2/t29-,30-,31+/m1/s1 QTGXMSVHAZOWFY-OLUZHXLYSA-N 50110094 1-phenyl-3-{1-[5'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-4-ylmethyl]hexahydro-4-pyridinyl}propane::CHEMBL436245 C-C chemokine receptor type 5 69 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110094&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373767 104004982 CHEMBL436245 ZINC27735241 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199682 CCN(C1CCN(C[C@H]2CN3OC4(C[C@H]3[C@@H]2c2ccccc2)CCCCC4)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H45N3O3/c1-2-35(32(37)38-25-26-12-6-3-7-13-26)29-16-20-34(21-17-29)23-28-24-36-30(31(28)27-14-8-4-9-15-27)22-33(39-36)18-10-5-11-19-33/h3-4,6-9,12-15,28-31H,2,5,10-11,16-25H2,1H3/t28-,30-,31+/m0/s1 GXHRXGFOZBCOIP-LHGWWSMPSA-N 50110096 1-benzyloxycarbonyl(ethyl)1-[4'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-5-ylmethyl]hexahydro-4-pyridinylamine::CHEMBL423427 C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110096&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373721 104004984 CHEMBL423427 ZINC27740867 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199683 C(CC1CCN(C[C@H]2[C@@H]3C[C@H](ON3C[C@@H]2c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 InChI=1S/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-31-30(28-15-6-2-7-16-28)25-35-32(31)23-33(36-35)29-17-8-3-9-18-29/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31-,32+,33+/m1/s1 WZASNUCKAQFVFE-FYZVQMPESA-N 50110095 (2S,3aS,4S,5S)-2,5-Diphenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-hexahydro-pyrrolo[1,2-b]isoxazole::CHEMBL350763 C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110095&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44374088 104004983 CHEMBL350763 ZINC13439117 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199684 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)C3CCCCC3)CC2)cc1 InChI=1S/C34H44N4O5/c1-2-19-37(34(40)43-25-26-13-15-31(16-14-26)38(41)42)30-17-20-35(21-18-30)22-29-23-36(33(39)28-11-7-4-8-12-28)24-32(29)27-9-5-3-6-10-27/h2-3,5-6,9-10,13-16,28-30,32H,1,4,7-8,11-12,17-25H2/t29-,32+/m0/s1 CHQDHAHHPHGSMK-BHDXBOSCSA-N 50105544 Allyl-[1-((3S,4S)-1-cyclohexanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL328260 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105544&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490022 104001261 CHEMBL328260 ZINC26658870 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199685 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3[C@@H]4CC5(CCCCC5)ON4C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C34H44N4O5/c1-2-19-36(33(39)42-25-26-11-13-29(14-12-26)38(40)41)28-15-20-35(21-16-28)23-31-30(27-9-5-3-6-10-27)24-37-32(31)22-34(43-37)17-7-4-8-18-34/h2-3,5-6,9-14,28,30-32H,1,4,7-8,15-25H2/t30-,31-,32+/m1/s1 BPMDYCAPYKCBNC-IWWXRALLSA-N 50110097 4-nitrobenzyl allyl(1-(((3a'S,4'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,2'-pyrrolo[1,2-b]isoxazole]-4'-yl)methyl)piperidin-4-yl)carbamate::4N-allyl-4N-[4-nitrobenzyloxycarbonyl]-1-[5'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-4-ylmethyl]hexahydro-4-pyridinamine::CHEMBL157983 C-C chemokine receptor type 5 14 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110097&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373973 104004985 CHEMBL157983 ZINC27736576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199686 C(CC1CCN(C[C@H]2CN3O[C@@H](C[C@H]3[C@@H]2c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 InChI=1S/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-30-25-35-31(33(30)29-17-8-3-9-18-29)23-32(36-35)28-15-6-2-7-16-28/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31-,32-,33+/m0/s1 ATQZSLPBLOHQLC-ZWDYZTTJSA-N 50110099 (2S,3aS,4S,5S)-2,4-Diphenyl-5-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-hexahydro-pyrrolo[1,2-b]isoxazole::CHEMBL161093 C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110099&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373852 104004987 CHEMBL161093 ZINC13439123 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199687 C([C@H]1[C@@H]2CC3(CCCCC3)ON2C[C@@H]1c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C29H38N2O/c1-4-10-23(11-5-1)24-14-18-30(19-15-24)21-27-26(25-12-6-2-7-13-25)22-31-28(27)20-29(32-31)16-8-3-9-17-29/h1-2,4-7,10-13,24,26-28H,3,8-9,14-22H2/t26-,27-,28+/m1/s1 FSDGIZCOZRCCMO-FCEKVYKBSA-N 50110098 (3a'S,4'S,5'S)-5'-phenyl-4'-((4-phenylpiperidin-1-yl)methyl)tetrahydro-3'H-spiro[cyclohexane-1,2'-pyrrolo[1,2-b]isoxazole]::5'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-4-yl(4-phenylhexahydro-1-pyridinyl)methane::CHEMBL539943 C-C chemokine receptor type 5 33 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110098&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373768 104004986 CHEMBL539943 ZINC13439127 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50199688 CCN(C1CCN(C[C@H]2[C@@H]3C[C@H](ON3C[C@@H]2c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C34H41N3O3/c1-2-36(34(38)39-25-26-12-6-3-7-13-26)29-18-20-35(21-19-29)23-31-30(27-14-8-4-9-15-27)24-37-32(31)22-33(40-37)28-16-10-5-11-17-28/h3-17,29-33H,2,18-25H2,1H3/t30-,31-,32+,33+/m1/s1 WIIDGEGJDZSGHC-FYZVQMPESA-N 50110100 CHEMBL158438::[1-((2S,3aS,4S,5S)-2,5-Diphenyl-hexahydro-pyrrolo[1,2-b]isoxazol-4-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester::benzyl 1-(((2S,3aS,4S,5S)-2,5-diphenylhexahydropyrrolo[1,2-b]isoxazol-4-yl)methyl)piperidin-4-yl(ethyl)carbamate C-C chemokine receptor type 5 46 ChEMBL 10.1016/s0960-894x(01)00835-6 10.7270/Q2DF6QHH 11844699 Lynch, CL; Gentry, AL; Hale, JJ; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Doss, G; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110100&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44374136 104004988 CHEMBL158438 ZINC27734370 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223241 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3ccccc3Cl)CC2)cc1 InChI=1S/C34H37ClN4O5/c1-2-18-38(34(41)44-24-25-12-14-29(15-13-25)39(42)43)28-16-19-36(20-17-28)21-27-22-37(23-31(27)26-8-4-3-5-9-26)33(40)30-10-6-7-11-32(30)35/h2-15,27-28,31H,1,16-24H2/t27-,31+/m0/s1 HMSHDJLBXUWAQR-JTSJOTPCSA-N 50105543 Allyl-{1-[(3S,4S)-1-(2-chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::Allyl-{1-[1-(2-chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL328297 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105543&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490020 104001260 CHEMBL328297 ZINC26658395 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223242 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(cn1)C(F)(F)F InChI=1S/C31H41F4N5O2/c1-2-11-40(30-36-16-24(17-37-30)31(33,34)35)26-9-12-38(13-10-26)18-23-19-39(28(29(41)42)14-21-5-3-6-21)20-27(23)22-7-4-8-25(32)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,41,42)/t23-,27+,28+/m0/s1 OGKWLTVICQOPPH-MLKSZZLFSA-N 50123129 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[propyl-(5-trifluoromethyl-pyrimidin-2-yl)-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL344641 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123129&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357078 104015712 CHEMBL344641 ZINC53073864 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223243 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(OC)n1 InChI=1S/C31H44FN5O3/c1-3-14-37(31-33-13-10-29(34-31)40-2)26-11-15-35(16-12-26)19-24-20-36(28(30(38)39)17-22-6-4-7-22)21-27(24)23-8-5-9-25(32)18-23/h5,8-10,13,18,22,24,26-28H,3-4,6-7,11-12,14-17,19-21H2,1-2H3,(H,38,39)/t24-,27+,28+/m0/s1 MHNYDKBJIRMLCL-HNPKZYAISA-N 50123130 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[(4-methoxy-pyrimidin-2-yl)-propyl-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL275998 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123130&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357072 104015713 CHEMBL275998 ZINC27433971 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223250 CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C29H40FN5O2/c1-2-35(29-31-12-5-13-32-29)25-10-14-33(15-11-25)18-23-19-34(27(28(36)37)16-21-6-3-7-21)20-26(23)22-8-4-9-24(30)17-22/h4-5,8-9,12-13,17,21,23,25-27H,2-3,6-7,10-11,14-16,18-20H2,1H3,(H,36,37)/t23-,26+,27+/m0/s1 LUPZAUDHSLGRIO-HUROMRQRSA-N 50123140 (R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(ethyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL343366 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123140&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44356944 104015723 CHEMBL343366 ZINC13487347 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223253 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccncc1 InChI=1S/C31H42N4O/c1-2-19-35(28-13-17-32-18-14-28)29-15-20-33(21-16-29)22-27-23-34(31(36)26-11-7-4-8-12-26)24-30(27)25-9-5-3-6-10-25/h2-3,5-6,9-10,13-14,17-18,26-27,29-30H,1,4,7-8,11-12,15-16,19-24H2/t27-,30+/m0/s1 DOGXFXDKOAITDQ-BHBYDHKZSA-N 50123144 ((3S,4S)-3-((4-(allyl(pyridin-4-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone::CHEMBL137650::{(3S,4S)-3-[4-(Allyl-pyridin-4-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 66 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123144&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505874 104015727 CHEMBL137650 ZINC13487344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223255 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(F)cn1 InChI=1S/C30H41F2N5O2/c1-2-11-37(30-33-16-25(32)17-34-30)26-9-12-35(13-10-26)18-23-19-36(28(29(38)39)14-21-5-3-6-21)20-27(23)22-7-4-8-24(31)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,38,39)/t23-,27+,28+/m0/s1 LXLHCGLWCKKLPP-MLKSZZLFSA-N 50123138 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[(5-fluoro-pyrimidin-2-yl)-propyl-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL344261 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123138&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357079 104015721 CHEMBL344261 ZINC27439412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223261 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 InChI=1S/C31H42N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h2-3,5-6,9-12,15,18,26-29H,1,4,7-8,13-14,16-17,19-24H2/t27-,29+/m0/s1 RHFUWIXPHXRNRE-LMSSTIIKSA-N 50123131 CHEMBL137419::{(3S,4S)-3-[4-(Allyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 6 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123131&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505869 104015714 CHEMBL137419 ZINC13487341 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223246 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C30H42FN5O2/c1-2-14-36(30-32-12-5-13-33-30)26-10-15-34(16-11-26)19-24-20-35(28(29(37)38)17-22-6-3-7-22)21-27(24)23-8-4-9-25(31)18-23/h4-5,8-9,12-13,18,22,24,26-28H,2-3,6-7,10-11,14-17,19-21H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1 ATYIPORMNOLRNY-HNPKZYAISA-N 50123136 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(propyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL428104 C-C chemokine receptor type 5 1.8 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123136&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9914742 104015719 CHEMBL428104 ZINC53255776 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223247 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccc1 InChI=1S/C32H43N3O/c1-2-20-35(29-16-10-5-11-17-29)30-18-21-33(22-19-30)23-28-24-34(32(36)27-14-8-4-9-15-27)25-31(28)26-12-6-3-7-13-26/h2-3,5-7,10-13,16-17,27-28,30-31H,1,4,8-9,14-15,18-25H2/t28-,31+/m0/s1 KDSAKVKHBZUHMM-QCENPCRXSA-N 50123137 CHEMBL137154::{(3S,4S)-3-[4-(Allyl-phenyl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 42 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123137&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505876 104015720 CHEMBL137154 ZINC13487346 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50217948 C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO[C@H]2O[C@H]2CC[C@@]3(C)C(CCC4C3=C[C@H](O)C35C(=O)O[C@@](C)(C6CCC(C)(C)O6)[C@@]3(O)CC[C@@]45C)C2(C)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C47H74O19/c1-20-29(50)32(53)34(55)37(60-20)64-36-31(52)24(62-38-35(56)33(54)30(51)23(18-48)61-38)19-59-39(36)63-27-12-14-43(6)22-17-26(49)47-40(57)66-45(8,28-11-13-41(2,3)65-28)46(47,58)16-15-44(47,7)21(22)9-10-25(43)42(27,4)5/h17,20-21,23-39,48-56,58H,9-16,18-19H2,1-8H3/t20-,21?,23-,24-,25?,26+,27+,28?,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,43-,44+,45+,46+,47?/m1/s1 NXTLSYMVSDURIH-WYYKWHLKSA-N 50120315 CHEMBL2367888::Triterpene Glycoside analogue C-C chemokine receptor type 5 30000 ChEMBL 10.1016/s0960-894x(02)00599-1 10.7270/Q2MG7NVR 12372534 Hegde, VR; Chan, TM; Pu, H; Gullo, VP; Patel, MG; Das, P; Wagner, N; Parameswaran, PS; Naik, CG Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120315&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73345281 104013436 CHEMBL2367888 C03400 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50217949 CO[C@H]1[C@H](O)[C@@H](CO)OC(O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CO[C@@H](O[C@H]4CC[C@@]5(C)C(CCC6C5=C[C@H](O)C57C(CC[C@@]65C)[C@](C)(CCCC(C)C)OC7=O)C4(C)C)[C@H](O[C@@H]4O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)C(OC6O[C@H](CO)[C@@H](O)C(OC)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H]2O)[C@@H]1O InChI=1S/C67H110O32/c1-26(2)12-11-17-66(8)36-15-19-65(7)28-13-14-35-63(4,5)38(16-18-64(35,6)29(28)20-37(72)67(36,65)62(84)99-66)94-61-55(43(77)34(25-87-61)93-57-48(82)53(41(75)32(23-70)89-57)96-58-46(80)51(85-9)39(73)30(21-68)90-58)98-56-45(79)44(78)50(27(3)88-56)95-60-49(83)54(42(76)33(24-71)92-60)97-59-47(81)52(86-10)40(74)31(22-69)91-59/h20,26-28,30-61,68-83H,11-19,21-25H2,1-10H3/t27-,28?,30-,31-,32-,33-,34-,35?,36?,37+,38+,39-,40-,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,51+,52?,53+,54?,55-,56+,57+,58?,59?,60+,61+,64-,65+,66+,67?/m1/s1 QJXYVWRUWRZFBA-MUMMOCLCSA-N 50120316 CHEMBL2367887::Triterpene Glycoside analogue C-C chemokine receptor type 5 5100 ChEMBL 10.1016/s0960-894x(02)00599-1 10.7270/Q2MG7NVR 12372534 Hegde, VR; Chan, TM; Pu, H; Gullo, VP; Patel, MG; Das, P; Wagner, N; Parameswaran, PS; Naik, CG Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120316&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73349882 104013437 CHEMBL2367887 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220366 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H40F4N2O2/c33-27-9-7-26(8-10-27)32(35,36)14-11-22-12-15-37(16-13-22)19-25-20-38(30(31(39)40)17-23-3-1-4-23)21-29(25)24-5-2-6-28(34)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,39,40)/t25-,29+,30+/m0/s1 SFNJKKWRQWUNJB-AWJLRTIGSA-N 50121818 (R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)propanoic acid::3-(R)-Cyclobutyl-2-[(S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL21117 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121818&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10347790 104014572 CHEMBL21117 ZINC53260426 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220367 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCP(O)(=O)c3ccccc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H40FN2O4P/c31-26-6-4-5-24(18-26)28-21-33(29(30(34)35)17-23-9-10-23)20-25(28)19-32-14-11-22(12-15-32)13-16-38(36,37)27-7-2-1-3-8-27/h1-8,18,22-23,25,28-29H,9-17,19-21H2,(H,34,35)(H,36,37)/t25-,28+,29+/m0/s1 WDNJDEHYMQIMMS-RFYMFKDESA-N 50121820 3-Cyclopropyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[2-((R)-hydroxy-phenyl-phosphinoyl)-ethyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL21058 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121820&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273846 104014574 CHEMBL21058 ZINC28236295 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220368 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C#N)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C33H42FN3O2/c34-30-9-3-8-28(19-30)31-23-37(32(33(38)39)18-26-6-2-7-26)22-29(31)21-36-16-14-25(15-17-36)5-1-4-24-10-12-27(20-35)13-11-24/h3,8-13,19,25-26,29,31-32H,1-2,4-7,14-18,21-23H2,(H,38,39)/t29-,31+,32+/m0/s1 QTLUMMWDPFWBSS-JIZBBPSKSA-N 50121819 (R)-2-[(S)-3-{4-[3-(4-Cyano-phenyl)-propyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-cyclobutyl-propionic acid::CHEMBL20988 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121819&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20672370 104014573 CHEMBL20988 ZINC28237321 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220369 COP(=O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccccc1 InChI=1S/C31H42FN2O4P/c1-38-39(37,28-8-3-2-4-9-28)17-14-23-12-15-33(16-13-23)20-26-21-34(30(31(35)36)18-24-10-11-24)22-29(26)25-6-5-7-27(32)19-25/h2-9,19,23-24,26,29-30H,10-18,20-22H2,1H3,(H,35,36)/t26-,29+,30+,39?/m0/s1 RPBLAMOSILDGGB-DYOXTUNASA-N 50121821 3-Cyclopropyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[2-((R)-methoxy-phenyl-phosphinoyl)-ethyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL20818 C-C chemokine receptor type 5 19 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121821&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9915724 104014575 CHEMBL20818 ZINC28236801 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220370 CC(C)[C@@H](N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C29H38F2N2O4S/c1-20(2)28(29(34)35)33-18-23(27(19-33)22-4-3-5-25(31)16-22)17-32-13-10-21(11-14-32)12-15-38(36,37)26-8-6-24(30)7-9-26/h3-9,16,20-21,23,27-28H,10-15,17-19H2,1-2H3,(H,34,35)/t23-,27+,28+/m0/s1 WLJBBOCKDJKJMJ-MLKSZZLFSA-N 50121822 (R)-2-[(S)-3-{4-[2-(4-Fluoro-benzenesulfonyl)-ethyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL20602 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121822&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274106 104014576 CHEMBL20602 ZINC28236996 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220371 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC3(OCCO3)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C33H42F2N2O4/c34-28-8-6-27(7-9-28)33(40-16-17-41-33)13-10-23-11-14-36(15-12-23)20-26-21-37(31(32(38)39)18-24-4-5-24)22-30(26)25-2-1-3-29(35)19-25/h1-3,6-9,19,23-24,26,30-31H,4-5,10-18,20-22H2,(H,38,39)/t26-,30+,31+/m0/s1 VEKWSXMVPJSWQF-MAJWKWKESA-N 50121823 3-Cyclopropyl-2-[(3S,4S)-3-((R)-3-fluoro-phenyl)-4-(4-{2-[2-(4-fluoro-phenyl)-[1,3]dioxolan-2-yl]-ethyl}-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL278383 C-C chemokine receptor type 5 3.7 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121823&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274022 104014577 CHEMBL278383 ZINC28238560 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220372 CC(C)[C@@H](N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C29H38F2N2O2S/c1-20(2)28(29(34)35)33-18-23(27(19-33)22-4-3-5-25(31)16-22)17-32-13-10-21(11-14-32)12-15-36-26-8-6-24(30)7-9-26/h3-9,16,20-21,23,27-28H,10-15,17-19H2,1-2H3,(H,34,35)/t23-,27+,28+/m0/s1 XEQPCWADPBBPBI-MLKSZZLFSA-N 50121824 (R)-2-((S)-3-(3-Fluoro-phenyl)-4-{4-[2-(4-fluoro-phenylsulfanyl)-ethyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-3-methyl-butyric acid::CHEMBL281176 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121824&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274108 104014578 CHEMBL281176 ZINC13479580 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220373 COC(=O)C(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C33H42F2N2O4/c1-41-33(40)29(24-8-10-27(34)11-9-24)12-7-22-13-15-36(16-14-22)19-26-20-37(31(32(38)39)17-23-5-6-23)21-30(26)25-3-2-4-28(35)18-25/h2-4,8-11,18,22-23,26,29-31H,5-7,12-17,19-21H2,1H3,(H,38,39)/t26-,29?,30+,31+/m0/s1 QLDJHSRGZNOSDW-LENPYACBSA-N 50121825 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-4-methoxy-4-oxobutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::4-{1-[(S)-1-(1-Carboxy-2-cyclopropyl-ethyl)-4-((R)-3-fluoro-phenyl)-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-2-(4-fluoro-phenyl)-butyric acid methyl ester::CHEMBL283788 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121825&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273872 104014579 CHEMBL283788 ZINC28232502 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220374 CC(O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C32H42F2N2O3/c1-32(39,26-7-9-27(33)10-8-26)14-11-22-12-15-35(16-13-22)19-25-20-36(30(31(37)38)17-23-5-6-23)21-29(25)24-3-2-4-28(34)18-24/h2-4,7-10,18,22-23,25,29-30,39H,5-6,11-17,19-21H2,1H3,(H,37,38)/t25-,29+,30+,32?/m0/s1 JJRGEKBCROFWOB-MDCVBHJHSA-N 50121826 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-3-hydroxybutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-Cyclopropyl-2-((S)-3-((R)-3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-3-hydroxy-butyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL20598 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121826&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274090 104014580 CHEMBL20598 ZINC28235867 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220375 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H42F2N2O4S/c33-27-9-11-29(12-10-27)41(39,40)18-15-23-13-16-35(17-14-23)20-26-21-36(22-30(26)25-7-4-8-28(34)19-25)31(32(37)38)24-5-2-1-3-6-24/h4,7-12,19,23-24,26,30-31H,1-3,5-6,13-18,20-22H2,(H,37,38)/t26-,30+,31+/m0/s1 HNGKQKBNYUXDJL-MAJWKWKESA-N 50121827 (R)-Cyclohexyl-[(3S,4S)-3-{4-[2-(4-fluoro-benzenesulfonyl)-ethyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL280344 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121827&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273816 104014581 CHEMBL280344 ZINC28233332 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220376 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H43F3N2O2/c34-29-13-11-28(12-14-29)33(35,36)18-15-24-16-19-37(20-17-24)21-27-22-38(23-30(27)25-7-3-1-4-8-25)31(32(39)40)26-9-5-2-6-10-26/h1,3-4,7-8,11-14,24,26-27,30-31H,2,5-6,9-10,15-23H2,(H,39,40)/t27-,30+,31+/m0/s1 YBQKEAUCKLRLLA-LXLYTFERSA-N 50121829 (R)-Cyclohexyl-((3S,4S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-acetic acid::CHEMBL282921 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121829&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20672362 104014583 CHEMBL282921 ZINC28235568 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220377 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C(F)(F)F)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C33H42F4N2O2/c34-29-9-3-8-26(19-29)30-22-39(31(32(40)41)18-25-6-2-7-25)21-27(30)20-38-16-14-24(15-17-38)5-1-4-23-10-12-28(13-11-23)33(35,36)37/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,40,41)/t27-,30+,31+/m0/s1 UPFGSIPNBKPQPB-LXLYTFERSA-N 50121828 (R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[3-(4-trifluoromethyl-phenyl)-propyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-(trifluoromethyl)phenyl)propyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL21147 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121828&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273830 104014582 CHEMBL21147 ZINC28231315 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220379 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H43FN2O2/c33-29-14-6-13-27(20-29)30-23-35(31(32(36)37)19-26-11-5-12-26)22-28(30)21-34-17-15-25(16-18-34)10-4-9-24-7-2-1-3-8-24/h1-3,6-8,13-14,20,25-26,28,30-31H,4-5,9-12,15-19,21-23H2,(H,36,37)/t28-,30+,31+/m0/s1 OMBXIIQERBKCSZ-FAOMPSFFSA-N 50121832 (R)-3-Cyclobutyl-2-{(S)-3-(3-fluoro-phenyl)-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL278085 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121832&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20672386 104014585 CHEMBL278085 ZINC13479579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220380 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C32H41F3N2O2/c33-28-11-9-27(10-12-28)32(34,35)16-13-23-14-17-36(18-15-23)20-26-21-37(22-29(26)25-7-2-1-3-8-25)30(31(38)39)19-24-5-4-6-24/h1-3,7-12,23-24,26,29-30H,4-6,13-22H2,(H,38,39)/t26-,29+,30+/m0/s1 FKXFKQBEFHBWQP-NPBSGPTKSA-N 50121833 (R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)propanoic acid::3-(R)-Cyclobutyl-2-((S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-propionic acid::CHEMBL20622 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121833&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274043 104014586 CHEMBL20622 ZINC28235016 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220381 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C32H44N2O2/c35-32(36)31(21-27-13-8-14-27)34-23-29(30(24-34)28-15-5-2-6-16-28)22-33-19-17-26(18-20-33)12-7-11-25-9-3-1-4-10-25/h1-6,9-10,15-16,26-27,29-31H,7-8,11-14,17-24H2,(H,35,36)/t29-,30+,31+/m0/s1 CZNWHUFRZNZRGS-OJDZSJEKSA-N 50119338 (R)-3-Cyclobutyl-2-{(3S,4S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-Cyclobutyl-2-{(S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::3-cyclobutyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}propanoic acid::CHEMBL20896 C-C chemokine receptor type 5 0.100000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119338&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501062 104012556 CHEMBL20896 ZINC13479578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220382 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCC(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H43FN2O3/c34-29-14-12-26(13-15-29)31(37)16-11-24-17-19-35(20-18-24)21-28-22-36(23-30(28)25-7-3-1-4-8-25)32(33(38)39)27-9-5-2-6-10-27/h1,3-4,7-8,12-15,24,27-28,30,32H,2,5-6,9-11,16-23H2,(H,38,39)/t28-,30+,32+/m0/s1 YDBGAVBSGNGJBY-QTKNLHBISA-N 50121834 (R)-Cyclohexyl-((3S,4S)-3-{4-[3-(4-fluoro-phenyl)-3-oxo-propyl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-acetic acid::CHEMBL21167 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121834&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21341080 104014587 CHEMBL21167 ZINC28236761 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220384 CC(C)[C@@H](N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C30H38F4N2O2/c1-20(2)28(29(37)38)36-18-23(27(19-36)22-4-3-5-26(32)16-22)17-35-14-11-21(12-15-35)10-13-30(33,34)24-6-8-25(31)9-7-24/h3-9,16,20-21,23,27-28H,10-15,17-19H2,1-2H3,(H,37,38)/t23-,27+,28+/m0/s1 CUHYWMPQBBEVBL-MLKSZZLFSA-N 50121835 2-[(S)-3-{4-[3,3-Difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-(R)-methyl-butyric acid::CHEMBL20831 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121835&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20672360 104014588 CHEMBL20831 ZINC28234198 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220385 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H40F2N2O2S/c32-26-7-9-28(10-8-26)38-16-13-22-11-14-34(15-12-22)19-25-20-35(30(31(36)37)17-23-3-1-4-23)21-29(25)24-5-2-6-27(33)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,36,37)/t25-,29+,30+/m0/s1 IIBJTLJAZGFEHF-AWJLRTIGSA-N 50121836 (R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[2-(4-fluoro-phenylsulfanyl)-ethyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(2-(4-fluorophenylthio)ethyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL20345 C-C chemokine receptor type 5 0.100000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121836&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273531 104014589 CHEMBL20345 ZINC53260351 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220386 OC(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C31H40F2N2O3/c32-26-9-7-23(8-10-26)30(36)11-6-21-12-14-34(15-13-21)18-25-19-35(29(31(37)38)16-22-4-5-22)20-28(25)24-2-1-3-27(33)17-24/h1-3,7-10,17,21-22,25,28-30,36H,4-6,11-16,18-20H2,(H,37,38)/t25-,28+,29+,30?/m0/s1 DMEZRLWWNBWQGR-HCKVQAOWSA-N 50121837 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-3-hydroxypropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-Cyclopropyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[(R)-3-(4-fluoro-phenyl)-3-hydroxy-propyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL20453 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121837&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273996 104014590 CHEMBL20453 ZINC28236481 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220387 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H42F2N2O2/c33-28-12-10-23(11-13-28)4-1-5-24-14-16-35(17-15-24)20-27-21-36(31(32(37)38)18-25-6-2-7-25)22-30(27)26-8-3-9-29(34)19-26/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,37,38)/t27-,30+,31+/m0/s1 WPQUSTXDJJWMBZ-LXLYTFERSA-N 50121840 (R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL281607 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121840&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273960 104014593 CHEMBL281607 ZINC28235872 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220388 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(C(O)=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H40F2N2O4/c33-26-9-7-23(8-10-26)28(31(37)38)11-6-21-12-14-35(15-13-21)18-25-19-36(30(32(39)40)16-22-4-5-22)20-29(25)24-2-1-3-27(34)17-24/h1-3,7-10,17,21-22,25,28-30H,4-6,11-16,18-20H2,(H,37,38)(H,39,40)/t25-,28?,29+,30+/m0/s1 ADFRLQLNMJKEBV-XNUHKXAHSA-N 50121839 4-{1-[(S)-1-(1-Carboxy-2-cyclopropyl-ethyl)-4-((R)-3-fluoro-phenyl)-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-2-(4-fluoro-phenyl)-butyric acid::CHEMBL284010 C-C chemokine receptor type 5 51 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121839&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273850 104014592 CHEMBL284010 ZINC28236160 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220389 OCC(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C32H42F2N2O3/c33-28-10-8-24(9-11-28)26(21-37)7-6-22-12-14-35(15-13-22)18-27-19-36(31(32(38)39)16-23-4-5-23)20-30(27)25-2-1-3-29(34)17-25/h1-3,8-11,17,22-23,26-27,30-31,37H,4-7,12-16,18-21H2,(H,38,39)/t26?,27-,30+,31+/m0/s1 NMMHDJMVQJIRJO-KMXYOEAISA-N 50121841 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-4-hydroxybutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-Cyclopropyl-2-((S)-3-((R)-3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-4-hydroxy-butyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL417825 C-C chemokine receptor type 5 4.8 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121841&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274042 104014594 CHEMBL417825 ZINC28234835 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50220390 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H38F4N2O2/c32-26-8-6-25(7-9-26)31(34,35)13-10-21-11-14-36(15-12-21)18-24-19-37(29(30(38)39)16-22-4-5-22)20-28(24)23-2-1-3-27(33)17-23/h1-3,6-9,17,21-22,24,28-29H,4-5,10-16,18-20H2,(H,38,39)/t24-,28+,29+/m0/s1 IAJNZPZRAMWRRM-TUMTZTIRSA-N 50121838 (R)-3-cyclopropyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)propanoic acid::3-(R)-Cyclopropyl-2-[(S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL21106 C-C chemokine receptor type 5 0.060000 ChEMBL 10.1016/s0960-894x(02)00829-6 10.7270/Q2CN7382 12467630 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121838&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10076141 104014591 CHEMBL21106 ZINC52987911 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223688 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(cc1)C(F)(F)F InChI=1S/C26H31Cl2F3N4O2/c1-17-14-33(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-32(11-9-25)24(36)23-21(27)15-34(37)16-22(23)28/h4-7,15-18H,8-14H2,1-3H3/t17-,18-/m0/s1 JWRNDENHFBRQCM-ROUUACIJSA-N 50123436 (3,5-Dichloro-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL334470 C-C chemokine receptor type 5 2.7 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123436&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462395 104015945 CHEMBL334470 ZINC27518853 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223690 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)-c1ccccc1)c1ccc(cc1)C(F)(F)F InChI=1S/C33H40F3N5O/c1-22-21-40(19-20-41(22)25(4)26-11-13-28(14-12-26)33(34,35)36)32(5)15-17-39(18-16-32)31(42)29-23(2)37-30(38-24(29)3)27-9-7-6-8-10-27/h6-14,22,25H,15-21H2,1-5H3/t22-,25-/m0/s1 QHHGCBRDJMDQEW-DHLKQENFSA-N 50123439 (4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL344607 C-C chemokine receptor type 5 12 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123439&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463319 104015948 CHEMBL344607 ZINC27519433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223693 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C27H37F3N6O/c1-17-16-35(14-15-36(17)20(4)21-6-8-22(9-7-21)27(28,29)30)26(5)10-12-34(13-11-26)24(37)23-18(2)32-25(31)33-19(23)3/h6-9,17,20H,10-16H2,1-5H3,(H2,31,32,33)/t17-,20-/m0/s1 MPGURQFCCSFBHA-PXNSSMCTSA-N 50123441 (2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140490 C-C chemokine receptor type 5 38 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123441&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474188 104015950 CHEMBL140490 ZINC22927081 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223694 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F InChI=1S/C26H31Cl2F3N4O/c1-17-16-34(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-33(11-9-25)24(36)23-21(27)14-32-15-22(23)28/h4-7,14-15,17-18H,8-13,16H2,1-3H3/t17-,18-/m0/s1 CAZKDDQXONGRTE-ROUUACIJSA-N 50123438 (3,5-Dichloro-pyridin-4-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140827 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123438&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463616 104015947 CHEMBL140827 ZINC27520763 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223695 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O/c1-18-17-35(15-16-36(18)21(4)23-7-9-24(10-8-23)28(29,30)31)27(6)11-13-34(14-12-27)26(37)25-19(2)32-22(5)33-20(25)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1 UMOFYSFQZJYWNT-RXVVDRJESA-N 50123442 (4-Methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-(2,4,6-trimethyl-pyrimidin-5-yl)-methanone::CHEMBL342137 C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123442&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462571 104015951 CHEMBL342137 ZINC22927072 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223698 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(I)cc1 InChI=1S/C26H36IN5O/c1-18-16-31(14-15-32(18)21(4)22-6-8-23(27)9-7-22)26(5)10-12-30(13-11-26)25(33)24-19(2)28-17-29-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1 LULHPKFDNFSVFW-RXVVDRJESA-N 50123443 (4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL422326 C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123443&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463210 104015952 CHEMBL422326 ZINC27638534 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223703 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(OC(F)(F)F)cc1 InChI=1S/C27H36F3N5O2/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)37-27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1 QWZMAQRSGSBPHQ-RXVVDRJESA-N 50123446 (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethoxy-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL357557 C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123446&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463209 104015955 CHEMBL357557 ZINC22927069 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223705 COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1 InChI=1S/C28H38F3N5O2/c1-18-17-35(15-16-36(18)21(4)22-7-9-23(10-8-22)28(29,30)31)27(5)11-13-34(14-12-27)25(37)24-19(2)32-26(38-6)33-20(24)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1 BUZVRSCZMYHLGQ-RXVVDRJESA-N 50123437 (2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140706 C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123437&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463892 104015946 CHEMBL140706 ZINC22927076 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223707 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1 DTKUANPECHGGBY-UNMCSNQZSA-N 50104946 (2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL113436 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104946&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 464036 104000743 CHEMBL113436 ZINC22941914 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223709 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1 RQDGBNLSKUOAJD-SFTDATJTSA-N 50104956 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL322251 C-C chemokine receptor type 5 7 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511332 104000753 CHEMBL322251 ZINC22451716 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215947 Cn1nnnc1-c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C34H48N6O/c1-38-33(35-36-37-38)30-16-14-27(15-17-30)11-8-18-34(41)19-21-39(22-20-34)24-31-25-40(23-28-9-4-2-5-10-28)26-32(31)29-12-6-3-7-13-29/h3,6-7,12-17,28,31-32,41H,2,4-5,8-11,18-26H2,1H3/t31-,32+/m0/s1 HJLBYGARYJZYPE-AJQTZOPKSA-N 50119316 1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-{3-[4-(1-methyl-1H-tetrazol-5-yl)-phenyl]-propyl}-piperidin-4-ol::CHEMBL322422 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119316&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44332341 104012534 CHEMBL322422 ZINC26822216 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215948 Cn1n[nH+]c(n1)-c1ccc(CCCC2(O)CCN(CC3CN(CC4CCCCC4)CC3c3ccccc3)CC2)cc1 InChI=1S/C34H48N6O/c1-38-36-33(35-37-38)30-16-14-27(15-17-30)11-8-18-34(41)19-21-39(22-20-34)24-31-25-40(23-28-9-4-2-5-10-28)26-32(31)29-12-6-3-7-13-29/h3,6-7,12-17,28,31-32,41H,2,4-5,8-11,18-26H2,1H3/p+1 VRWSWNLSRFRDDD-UHFFFAOYSA-O 50119317 5-(4-{3-[1-((3S,4S)-1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-phenyl)-2-methyl-1H-tetrazol-2-ium::CHEMBL103790 C-C chemokine receptor type 5 0.4 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119317&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91932076 104012535 CHEMBL103790 ZINC26819171 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215949 OC(=O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 InChI=1S/C33H46N2O3/c36-32(37)29-15-7-11-26(21-29)12-8-16-33(38)17-19-34(20-18-33)23-30-24-35(22-27-9-3-1-4-10-27)25-31(30)28-13-5-2-6-14-28/h2,5-7,11,13-15,21,27,30-31,38H,1,3-4,8-10,12,16-20,22-25H2,(H,36,37)/t30-,31+/m0/s1 PECQGQFPDDXSPX-IOWSJCHKSA-N 50119318 3-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)benzoic acid::3-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-benzoic acid::CHEMBL318909 C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119318&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496971 104012536 CHEMBL318909 ZINC13819408 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215950 OC(=O)c1ccccc1CCCC1(O)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C33H46N2O3/c36-32(37)30-16-8-7-14-27(30)15-9-17-33(38)18-20-34(21-19-33)23-29-24-35(22-26-10-3-1-4-11-26)25-31(29)28-12-5-2-6-13-28/h2,5-8,12-14,16,26,29,31,38H,1,3-4,9-11,15,17-25H2,(H,36,37)/t29-,31+/m0/s1 RPFXOBKYZGYLDY-IGYGKHONSA-N 50119319 2-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)benzoic acid::2-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-benzoic acid::CHEMBL103268 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119319&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496970 104012537 CHEMBL103268 ZINC13819406 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215951 OC(=O)c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C33H46N2O3/c36-32(37)29-15-13-26(14-16-29)10-7-17-33(38)18-20-34(21-19-33)23-30-24-35(22-27-8-3-1-4-9-27)25-31(30)28-11-5-2-6-12-28/h2,5-6,11-16,27,30-31,38H,1,3-4,7-10,17-25H2,(H,36,37)/t30-,31+/m0/s1 JGWJYEWLWJJIHL-IOWSJCHKSA-N 50119320 4-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)benzoic acid::4-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-benzoic acid::CHEMBL319689 C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119320&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496972 104012538 CHEMBL319689 ZINC13819410 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215952 OC1(CCCc2ccc(cc2)-c2nnn[nH]2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C33H46N6O/c40-33(17-7-10-26-13-15-29(16-14-26)32-34-36-37-35-32)18-20-38(21-19-33)23-30-24-39(22-27-8-3-1-4-9-27)25-31(30)28-11-5-2-6-12-28/h2,5-6,11-16,27,30-31,40H,1,3-4,7-10,17-25H2,(H,34,35,36,37)/t30-,31+/m0/s1 MYTRYQKUDUGKTA-IOWSJCHKSA-N 50119321 1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-{3-[4-(1H-tetrazol-5-yl)-phenyl]-propyl}-piperidin-4-ol::1-(1-cyclohexylmethyl-4-phenyltetrahydro-1H-3-pyrrolylmethyl)-4-{3-[4-(1H-1,2,3,4-tetraazol-5-yl)phenyl]propyl}hexahydro-4-pyridinol::4-(3-(4-(1H-tetrazol-5-yl)phenyl)propyl)-1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-ol::CHEMBL319593 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119321&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10414981 104012539 CHEMBL319593 ZINC26752204 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215953 OC1(CCCc2ccncc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C31H45N3O/c35-31(15-7-10-26-13-18-32-19-14-26)16-20-33(21-17-31)23-29-24-34(22-27-8-3-1-4-9-27)25-30(29)28-11-5-2-6-12-28/h2,5-6,11-14,18-19,27,29-30,35H,1,3-4,7-10,15-17,20-25H2/t29-,30+/m0/s1 KEFFMDUPEITWQA-XZWHSSHBSA-N 50119322 1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-4-yl-propyl)-piperidin-4-ol::CHEMBL317908 C-C chemokine receptor type 5 12 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119322&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496985 104012540 CHEMBL317908 ZINC13819416 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215954 OC1(CCCc2ccccc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C32H46N2O/c35-32(18-10-15-27-11-4-1-5-12-27)19-21-33(22-20-32)24-30-25-34(23-28-13-6-2-7-14-28)26-31(30)29-16-8-3-9-17-29/h1,3-5,8-9,11-12,16-17,28,30-31,35H,2,6-7,10,13-15,18-26H2/t30-,31+/m0/s1 VSVCTEVBQPUVMW-IOWSJCHKSA-N 50106995 1-((3S,4S)-1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-phenyl-propyl)-piperidin-4-ol::1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-phenyl-propyl)-piperidin-4-ol::CHEMBL317710 C-C chemokine receptor type 5 0.3 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106995&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489315 104002422 CHEMBL317710 ZINC13819404 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215955 OC(=O)CCc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C35H50N2O3/c38-34(39)18-17-29-15-13-28(14-16-29)10-7-19-35(40)20-22-36(23-21-35)25-32-26-37(24-30-8-3-1-4-9-30)27-33(32)31-11-5-2-6-12-31/h2,5-6,11-16,30,32-33,40H,1,3-4,7-10,17-27H2,(H,38,39)/t32-,33+/m0/s1 YYLIUOFKQNBOEB-JHOUSYSJSA-N 50119323 3-(4-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-phenyl)-propionic acid::CHEMBL320149 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119323&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496975 104012541 CHEMBL320149 ZINC26823129 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215956 OC1(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C31H45N3O/c35-31(16-9-15-29-14-7-8-19-32-29)17-20-33(21-18-31)23-28-24-34(22-26-10-3-1-4-11-26)25-30(28)27-12-5-2-6-13-27/h2,5-8,12-14,19,26,28,30,35H,1,3-4,9-11,15-18,20-25H2/t28-,30+/m0/s1 CIZRLPXJAHENGW-MFMCTBQISA-N 50119324 1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-(3-(pyridin-2-yl)propyl)piperidin-4-ol::1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-2-yl-propyl)-piperidin-4-ol::CHEMBL323370 C-C chemokine receptor type 5 7 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119324&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496983 104012542 CHEMBL323370 ZINC13819412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215957 OC(=O)Cc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C34H48N2O3/c37-33(38)22-28-15-13-27(14-16-28)10-7-17-34(39)18-20-35(21-19-34)24-31-25-36(23-29-8-3-1-4-9-29)26-32(31)30-11-5-2-6-12-30/h2,5-6,11-16,29,31-32,39H,1,3-4,7-10,17-26H2,(H,37,38)/t31-,32+/m0/s1 IMCPBPJBIKCDDJ-AJQTZOPKSA-N 50119325 (4-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-phenyl)-acetic acid::2-(4-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)phenyl)acetic acid::CHEMBL100336 C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119325&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496974 104012543 CHEMBL100336 C03768 ZINC26750731 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215958 OC(=O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 InChI=1S/C34H48N2O3/c37-33(38)22-29-12-7-11-27(21-29)13-8-16-34(39)17-19-35(20-18-34)24-31-25-36(23-28-9-3-1-4-10-28)26-32(31)30-14-5-2-6-15-30/h2,5-7,11-12,14-15,21,28,31-32,39H,1,3-4,8-10,13,16-20,22-26H2,(H,37,38)/t31-,32+/m0/s1 IMUDDPQNMKTPCR-AJQTZOPKSA-N 50119327 (3-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-phenyl)-acetic acid::2-(3-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)phenyl)acetic acid::CHEMBL432596 C-C chemokine receptor type 5 6 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119327&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496973 104012545 CHEMBL432596 ZINC26823124 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215959 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3ccccc3Cl)CC2)cc1 InChI=1S/C34H37ClN4O5/c1-2-18-38(34(41)44-24-25-12-14-29(15-13-25)39(42)43)28-16-19-36(20-17-28)21-27-22-37(23-31(27)26-8-4-3-5-9-26)33(40)30-10-6-7-11-32(30)35/h2-15,27-28,31H,1,16-24H2/t27-,31+/m0/s1 HMSHDJLBXUWAQR-JTSJOTPCSA-N 50105543 Allyl-{1-[(3S,4S)-1-(2-chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::Allyl-{1-[1-(2-chloro-benzoyl)-4-phenyl-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL328297 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105543&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 490020 104001260 CHEMBL328297 ZINC26658395 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215960 OC1(CCCc2ccc(Cc3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C34H48N6O/c41-34(17-7-10-27-13-15-28(16-14-27)22-33-35-37-38-36-33)18-20-39(21-19-34)24-31-25-40(23-29-8-3-1-4-9-29)26-32(31)30-11-5-2-6-12-30/h2,5-6,11-16,29,31-32,41H,1,3-4,7-10,17-26H2,(H,35,36,37,38)/t31-,32+/m0/s1 NQPXYMWTFXTRMG-AJQTZOPKSA-N 50119326 1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-{3-[4-(1H-tetrazol-5-ylmethyl)-phenyl]-propyl}-piperidin-4-ol::CHEMBL420465 C-C chemokine receptor type 5 1 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119326&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44332814 104012544 CHEMBL420465 ZINC26822320 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215961 OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C31H45N3O/c35-31(15-7-11-26-12-8-18-32-21-26)16-19-33(20-17-31)23-29-24-34(22-27-9-3-1-4-10-27)25-30(29)28-13-5-2-6-14-28/h2,5-6,8,12-14,18,21,27,29-30,35H,1,3-4,7,9-11,15-17,19-20,22-25H2/t29-,30+/m0/s1 RESTXJLMXFJGHZ-XZWHSSHBSA-N 50119328 1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-(3-(pyridin-3-yl)propyl)piperidin-4-ol::1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-3-yl-propyl)-piperidin-4-ol::CHEMBL419895 C-C chemokine receptor type 5 6 ChEMBL 10.1016/s0960-894x(02)00605-4 10.7270/Q2RB73ZB 12270192 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Gould, SL; DeMartino, JA; Springer, MS; Siciliano, SJ; Malkowitz, L; Schleif, WA; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Holmes, K; Lineberger, J; Carella, A; Carver, G; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119328&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496984 104012546 CHEMBL419895 ZINC13819414 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215962 OC1(CCCc2ccccc2)CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@@H](C2CCCCC2)C(=O)OCc2ccccc2)CC1 InChI=1S/C40H52N2O3/c43-39(45-31-33-16-7-2-8-17-33)38(35-21-11-4-12-22-35)42-29-36(37(30-42)34-19-9-3-10-20-34)28-41-26-24-40(44,25-27-41)23-13-18-32-14-5-1-6-15-32/h1-3,5-10,14-17,19-20,35-38,44H,4,11-13,18,21-31H2/t36-,37+,38-/m0/s1 MWARYVUQVJIHTP-VYSOZWTASA-N 50119329 CHEMBL322232::Cyclohexyl-{3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid benzyl ester C-C chemokine receptor type 5 24 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119329&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501048 104012547 CHEMBL322232 ZINC26823082 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215963 OC[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H48N2O2/c36-26-32(29-16-8-3-9-17-29)35-24-30(31(25-35)28-14-6-2-7-15-28)23-34-21-19-33(37,20-22-34)18-10-13-27-11-4-1-5-12-27/h1-2,4-7,11-12,14-15,29-32,36-37H,3,8-10,13,16-26H2/t30-,31+,32-/m0/s1 RNBWEUULKWTMAR-QAXCHELISA-N 50119331 1-[1-(1-cyclohexyl-2-hydroxyethyl)-4-phenyltetrahydro-1H-3-pyrrolylmethyl]-4-(3-phenylpropyl)hexahydro-4-pyridinol::CHEMBL103343 C-C chemokine receptor type 5 1 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119331&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501043 104012549 CHEMBL103343 ZINC13819418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215964 CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2ccc(F)cc2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C27H35FN2O2/c1-19(2)26(27(31)32)30-17-23(25(18-30)22-6-4-3-5-7-22)16-29-14-12-21(13-15-29)20-8-10-24(28)11-9-20/h3-11,19,21,23,25-26H,12-18H2,1-2H3,(H,31,32)/t23-,25+,26+/m0/s1 AIEWGCAUTFKWHF-SKBVVQJISA-N 50119330 (R)-2-((3S,4S)-3-((4-(4-fluorophenyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::2-{3-[4-(4-fluorophenyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}-3-methylbutanoic acid::CHEMBL322693 C-C chemokine receptor type 5 36 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119330&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501058 104012548 CHEMBL322693 ZINC13819433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215965 OC[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H48N2O2/c36-26-32(29-16-8-3-9-17-29)35-24-30(31(25-35)28-14-6-2-7-15-28)23-34-21-19-33(37,20-22-34)18-10-13-27-11-4-1-5-12-27/h1-2,4-7,11-12,14-15,29-32,36-37H,3,8-10,13,16-26H2/t30-,31+,32+/m0/s1 RNBWEUULKWTMAR-DCMFLLSESA-N 50119332 1-[1-(1-cyclohexyl-2-hydroxyethyl)-4-phenyltetrahydro-1H-3-pyrrolylmethyl]-4-(3-phenylpropyl)hexahydro-4-pyridinol::CHEMBL103813 C-C chemokine receptor type 5 1 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119332&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501047 104012550 CHEMBL103813 ZINC13819420 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215966 CC(C)[C@@H](N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C30H42N2O2/c1-23(2)29(30(33)34)32-21-27(28(22-32)26-14-7-4-8-15-26)20-31-18-16-25(17-19-31)13-9-12-24-10-5-3-6-11-24/h3-8,10-11,14-15,23,25,27-29H,9,12-13,16-22H2,1-2H3,(H,33,34)/t27-,28+,29+/m0/s1 LMPPVKFSFVAECO-ZGIBFIJWSA-N 50119333 (R)-3-methyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)butanoic acid::3-methyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}butanoic acid::CHEMBL318406 C-C chemokine receptor type 5 0.7 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119333&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501056 104012551 CHEMBL318406 ZINC13819431 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215967 OC1(CCCc2ccccc2)CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(=O)OCc2ccccc2)CC1 InChI=1S/C40H52N2O3/c43-39(45-31-33-16-7-2-8-17-33)38(35-21-11-4-12-22-35)42-29-36(37(30-42)34-19-9-3-10-20-34)28-41-26-24-40(44,25-27-41)23-13-18-32-14-5-1-6-15-32/h1-3,5-10,14-17,19-20,35-38,44H,4,11-13,18,21-31H2/t36-,37+,38+/m0/s1 MWARYVUQVJIHTP-YXWIYCFASA-N 50119334 CHEMBL101333::Cyclohexyl-{(S)-3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid benzyl ester C-C chemokine receptor type 5 3.6 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119334&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501044 104012552 CHEMBL101333 ZINC26750542 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215969 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H46N2O2/c36-33(37)32(29-17-8-3-9-18-29)35-24-30(31(25-35)28-15-6-2-7-16-28)23-34-21-19-27(20-22-34)14-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,15-16,27,29-32H,3,8-10,13-14,17-25H2,(H,36,37)/t30-,31+,32+/m0/s1 SUKMVMFONPSNRM-DCMFLLSESA-N 50119336 2-cyclohexyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL102826::Cyclohexyl-{3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 0.1 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119336&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501055 104012554 CHEMBL102826 ZINC13819429 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215970 OC(=O)[C@@H](C1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C30H40N2O2/c33-30(34)29(26-14-15-26)32-21-27(28(22-32)25-12-5-2-6-13-25)20-31-18-16-24(17-19-31)11-7-10-23-8-3-1-4-9-23/h1-6,8-9,12-13,24,26-29H,7,10-11,14-22H2,(H,33,34)/t27-,28+,29+/m0/s1 OPTDOXJRILUDSH-ZGIBFIJWSA-N 50119335 (R)-2-cyclopropyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::2-cyclopropyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL318681 C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119335&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501059 104012553 CHEMBL318681 ZINC13819435 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215971 OC(=O)[C@H](N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C33H40N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-9,11-12,14-17,29-31,38H,10,13,18-25H2,(H,36,37)/t29-,30+,31+/m0/s1 HIMJKDLIRVULLJ-OJDZSJEKSA-N 50119337 (R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-phenylacetic acid::2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}-2-phenylacetic acid::CHEMBL101961 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119337&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501051 104012555 CHEMBL101961 ZINC26823837 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215973 C[C@@H](N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C28H38N2O3/c1-22(27(31)32)30-20-25(26(21-30)24-12-6-3-7-13-24)19-29-17-15-28(33,16-18-29)14-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,22,25-26,33H,8,11,14-21H2,1H3,(H,31,32)/t22-,25+,26-/m1/s1 ZTXWLTCCHFRZOL-ZSQFBXSQSA-N 50119339 (R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)propanoic acid::2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}propanoic acid::CHEMBL102675 C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119339&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501053 104012557 CHEMBL102675 ZINC13819424 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215974 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C31H42N2O2/c34-31(35)30(20-26-14-15-26)33-22-28(29(23-33)27-12-5-2-6-13-27)21-32-18-16-25(17-19-32)11-7-10-24-8-3-1-4-9-24/h1-6,8-9,12-13,25-26,28-30H,7,10-11,14-23H2,(H,34,35)/t28-,29+,30+/m0/s1 HIHMSQGASZUHDX-FRXPANAUSA-N 50119341 (R)-3-cyclopropyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-cyclopropyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}propanoic acid::CHEMBL316475 C-C chemokine receptor type 5 0.1 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119341&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44332684 104012559 CHEMBL316475 ZINC13819439 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215975 OC(=O)CN1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C27H36N2O3/c30-26(31)21-29-19-24(25(20-29)23-11-5-2-6-12-23)18-28-16-14-27(32,15-17-28)13-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-12,24-25,32H,7,10,13-21H2,(H,30,31)/t24-,25+/m0/s1 CTJKYRODXZKJFT-LOSJGSFVSA-N 50119340 2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL102674 C-C chemokine receptor type 5 6 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119340&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501054 104012558 CHEMBL102674 ZINC13819427 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215976 OC(=O)[C@@H](C1CCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C32H44N2O2/c35-32(36)31(28-16-7-8-17-28)34-23-29(30(24-34)27-14-5-2-6-15-27)22-33-20-18-26(19-21-33)13-9-12-25-10-3-1-4-11-25/h1-6,10-11,14-15,26,28-31H,7-9,12-13,16-24H2,(H,35,36)/t29-,30+,31+/m0/s1 KQPOJCCWDXCAIU-OJDZSJEKSA-N 50119342 (R)-2-cyclopentyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::2-cyclopentyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL99909 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119342&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501063 104012560 CHEMBL99909 ZINC13819441 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215977 OC1(CCCc2ccc(cc2)-c2nnn[nH]2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C33H46N6O/c40-33(17-7-10-26-13-15-29(16-14-26)32-34-36-37-35-32)18-20-38(21-19-33)23-30-24-39(22-27-8-3-1-4-9-27)25-31(30)28-11-5-2-6-12-28/h2,5-6,11-16,27,30-31,40H,1,3-4,7-10,17-25H2,(H,34,35,36,37)/t30-,31+/m0/s1 MYTRYQKUDUGKTA-IOWSJCHKSA-N 50119321 1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-{3-[4-(1H-tetrazol-5-yl)-phenyl]-propyl}-piperidin-4-ol::1-(1-cyclohexylmethyl-4-phenyltetrahydro-1H-3-pyrrolylmethyl)-4-{3-[4-(1H-1,2,3,4-tetraazol-5-yl)phenyl]propyl}hexahydro-4-pyridinol::4-(3-(4-(1H-tetrazol-5-yl)phenyl)propyl)-1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-ol::CHEMBL319593 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119321&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10414981 104012539 CHEMBL319593 ZINC26752204 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215979 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H46N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,14-15,28-31,38H,3,8-10,13,16-25H2,(H,36,37)/t29-,30+,31+/m0/s1 WUHUVZJYMLYIBB-OJDZSJEKSA-N 50119343 2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL322603 C-C chemokine receptor type 5 0.5 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119343&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501046 104012561 CHEMBL322603 ZINC26823467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215981 COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C34H48N2O3/c1-39-33(37)32(29-17-9-4-10-18-29)36-25-30(31(26-36)28-15-7-3-8-16-28)24-35-22-20-34(38,21-23-35)19-11-14-27-12-5-2-6-13-27/h2-3,5-8,12-13,15-16,29-32,38H,4,9-11,14,17-26H2,1H3/t30-,31+,32-/m0/s1 XAKNITJBZPITFX-QAXCHELISA-N 50119344 (S)-methyl 2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetate::CHEMBL100958::methyl 2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetate C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119344&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501049 104012562 CHEMBL100958 ZINC26752661 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215982 CC(C)[C@@H](N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C30H42N2O3/c1-23(2)28(29(33)34)32-21-26(27(22-32)25-13-7-4-8-14-25)20-31-18-16-30(35,17-19-31)15-9-12-24-10-5-3-6-11-24/h3-8,10-11,13-14,23,26-28,35H,9,12,15-22H2,1-2H3,(H,33,34)/t26-,27+,28+/m0/s1 JWVCFPSKCYJGBK-UPRLRBBYSA-N 50119345 (R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}-3-methylbutanoic acid::CHEMBL318210 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501052 104012563 CHEMBL318210 ZINC13819422 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215983 OC(=O)[C@@H](C1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C31H42N2O2/c34-31(35)30(27-15-8-16-27)33-22-28(29(23-33)26-13-5-2-6-14-26)21-32-19-17-25(18-20-32)12-7-11-24-9-3-1-4-10-24/h1-6,9-10,13-14,25,27-30H,7-8,11-12,15-23H2,(H,34,35)/t28-,29+,30+/m0/s1 QAAUGXPLWDIPBN-FRXPANAUSA-N 50119349 (R)-2-cyclobutyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::2-cyclobutyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL320386 C-C chemokine receptor type 5 0.1 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119349&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501060 104012567 CHEMBL320386 ZINC13819437 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215984 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C32H44N2O2/c35-32(36)31(21-27-13-8-14-27)34-23-29(30(24-34)28-15-5-2-6-16-28)22-33-19-17-26(18-20-33)12-7-11-25-9-3-1-4-10-25/h1-6,9-10,15-16,26-27,29-31H,7-8,11-14,17-24H2,(H,35,36)/t29-,30+,31+/m0/s1 CZNWHUFRZNZRGS-OJDZSJEKSA-N 50119338 (R)-3-Cyclobutyl-2-{(3S,4S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-Cyclobutyl-2-{(S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::3-cyclobutyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}propanoic acid::CHEMBL20896 C-C chemokine receptor type 5 0.1 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119338&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501062 104012556 CHEMBL20896 ZINC13479578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215986 COC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C34H48N2O3/c1-39-33(37)32(29-17-9-4-10-18-29)36-25-30(31(26-36)28-15-7-3-8-16-28)24-35-22-20-34(38,21-23-35)19-11-14-27-12-5-2-6-13-27/h2-3,5-8,12-13,15-16,29-32,38H,4,9-11,14,17-26H2,1H3/t30-,31+,32+/m0/s1 XAKNITJBZPITFX-DCMFLLSESA-N 50119347 (R)-Cyclohexyl-{(3S,4S)-3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid methyl ester::(R)-methyl 2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetate::CHEMBL99788 C-C chemokine receptor type 5 1 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119347&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501045 104012565 CHEMBL99788 ZINC26750949 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215987 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ccc(F)cc2)[C@H](C1)c1ccccc1 InChI=1S/C30H39FN2O2/c31-27-13-11-22(12-14-27)23-15-17-32(18-16-23)19-26-20-33(21-28(26)24-7-3-1-4-8-24)29(30(34)35)25-9-5-2-6-10-25/h1,3-4,7-8,11-14,23,25-26,28-29H,2,5-6,9-10,15-21H2,(H,34,35)/t26-,28+,29+/m0/s1 VOLDNXUFIUKWPL-WIIGKZCBSA-N 50119348 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(4-fluorophenyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::2-cyclohexyl-2-{3-[4-(4-fluorophenyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL103782 C-C chemokine receptor type 5 4 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501057 104012566 CHEMBL103782 ZINC52603744 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50215988 OC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H46N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,14-15,28-31,38H,3,8-10,13,16-25H2,(H,36,37)/t29-,30+,31-/m0/s1 WUHUVZJYMLYIBB-YPKYBTACSA-N 50119346 (S)-2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL100596 C-C chemokine receptor type 5 5 ChEMBL 10.1016/s0960-894x(02)00606-6 10.7270/Q2MK6C71 12270193 Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501050 104012564 CHEMBL100596 ZINC26753003 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223712 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cncc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O/c1-19-16-32-17-20(2)25(19)26(36)33-12-10-27(5,11-13-33)34-14-15-35(21(3)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-9,16-17,21-22H,10-15,18H2,1-5H3/t21-,22-/m0/s1 ZFUXAIFGGCQFFK-VXKWHMMOSA-N 50123445 (3,5-Dimethyl-pyridin-4-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL138502 C-C chemokine receptor type 5 5.2 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123445&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462573 104015954 CHEMBL138502 ZINC22927055 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223715 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)c[n+]([O-])cc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O2/c1-19-16-34(37)17-20(2)25(19)26(36)32-12-10-27(5,11-13-32)33-14-15-35(21(3)18-33)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-9,16-17,21-22H,10-15,18H2,1-5H3/t21-,22-/m0/s1 QVDCSAIULQECDK-VXKWHMMOSA-N 50123447 (3,5-Dimethyl-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL141699 C-C chemokine receptor type 5 18 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123447&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462989 104015956 CHEMBL141699 ZINC22927060 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223716 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C#N InChI=1S/C27H36N6O/c1-19-17-32(14-15-33(19)22(4)24-8-6-23(16-28)7-9-24)27(5)10-12-31(13-11-27)26(34)25-20(2)29-18-30-21(25)3/h6-9,18-19,22H,10-15,17H2,1-5H3/t19-,22-/m0/s1 KQHWUFNWNPCEGY-UGKGYDQZSA-N 50123440 4-((S)-1-{(S)-4-[1-(4,6-Dimethyl-pyrimidine-5-carbonyl)-4-methyl-piperidin-4-yl]-2-methyl-piperazin-1-yl}-ethyl)-benzonitrile::CHEMBL348667 C-C chemokine receptor type 5 20 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123440&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462902 104015949 CHEMBL348667 ZINC22927064 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223717 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(cc1)C(F)(F)F InChI=1S/C28H35F6N5O/c1-17-16-38(14-15-39(17)20(4)21-6-8-22(9-7-21)27(29,30)31)26(5)10-12-37(13-11-26)24(40)23-18(2)35-25(28(32,33)34)36-19(23)3/h6-9,17,20H,10-16H2,1-5H3/t17-,20-/m0/s1 KUOUHUKIBBTXEV-PXNSSMCTSA-N 50123444 (4,6-Dimethyl-2-trifluoromethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL337820 C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123444&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 502259 104015953 CHEMBL337820 ZINC27518916 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50226448 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3 KRBMMTDOLHPSPA-UHFFFAOYSA-N 50124940 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL163078 C-C chemokine receptor type 5 97.8 ChEMBL 10.1016/s0960-894x(02)01062-4 10.7270/Q26H4GRT 12639563 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Blythin, D; Cox, K; Wagner, NE; Strizki, J; Baroudy, BM; Dan, N Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 503637 104017190 CHEMBL163078 ZINC03641383 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50240996 COC1C(=O)OC(C)c2c(O)c(O)c3OC(C)(C)CCc3c12 InChI=1S/C16H20O6/c1-7-9-10(14(20-4)15(19)21-7)8-5-6-16(2,3)22-13(8)12(18)11(9)17/h7,14,17-18H,5-6H2,1-4H3 VKCBFLWECIFSKY-UHFFFAOYSA-N 50242233 10-methoxydihydrofuscin::CHEMBL459020 C-C chemokine receptor type 5 154000 ChEMBL 10.1021/np030146m 10.7270/Q2VX0G82 12932138 Yoganathan, K; Rossant, C; Ng, S; Huang, Y; Butler, MS; Buss, AD MerLion Pharmaceuticals Pte Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242233&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10425374 104098991 CHEMBL459020 ZINC13460566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50240997 CC1OC(=O)C=C2C1C(=O)C(=O)C1=C2CCC(C)(C)O1 InChI=1S/C15H16O5/c1-7-11-9(6-10(16)19-7)8-4-5-15(2,3)20-14(8)13(18)12(11)17/h6-7,11H,4-5H2,1-3H3 AAFKZINCWOVPRV-UHFFFAOYSA-N 50242234 CHEMBL512035::fuscin C-C chemokine receptor type 5 21000 ChEMBL 10.1021/np030146m 10.7270/Q2VX0G82 12932138 Yoganathan, K; Rossant, C; Ng, S; Huang, Y; Butler, MS; Buss, AD MerLion Pharmaceuticals Pte Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242234&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57265373 104098992 CHEMBL512035 ZINC05751812 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50240998 CC1OC(=O)c2c1c(O)c(O)c1OC(C)(C)CCc21 InChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3 VXRIEWIAVSRHJN-UHFFFAOYSA-N 50242056 CHEMBL469856::fuscinarin C-C chemokine receptor type 5 80000 ChEMBL 10.1021/np030146m 10.7270/Q2VX0G82 12932138 Yoganathan, K; Rossant, C; Ng, S; Huang, Y; Butler, MS; Buss, AD MerLion Pharmaceuticals Pte Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242056&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10445499 104098936 CHEMBL469856 ZINC15248849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50272391 OC(=O)C(CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)C(C1)c1ccccc1 InChI=1S/C33H41N3O2S/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29?,30?/m0/s1 UUQGJUFZXHHWRQ-ZMTVJDMPSA-N 50148285 2-{(S)-3-[4-(2-Benzyl-thiazol-5-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-3-cyclobutyl-propionic acid::CHEMBL333619 C-C chemokine receptor type 5 0.230000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148285&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44342961 104036610 CHEMBL333619 ZINC38154928 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50272396 OC(=O)C(CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)C(C1)c1ccccc1 InChI=1S/C32H39N3O2S/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28?,29?/m0/s1 BYTINRYNDVFJIV-VSPYUBNUSA-N 50148286 2-{(S)-3-[4-(2-Benzyl-thiazol-5-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-3-cyclopropyl-propionic acid::CHEMBL326487 C-C chemokine receptor type 5 0.230000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148286&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44342962 104036611 CHEMBL326487 ZINC38154925 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50274630 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19-,23-20- LOTZSYKJMYSNJV-IKJQKJQYSA-N 50242053 6,8-didec-(1Z)-enyl-5,7-dimethyl-2,3-dihydro-1H-indolizinium trifluoroacetic acid salt::Anibamine::CHEMBL2057533::CHEMBL469649::anibamine TFA C-C chemokine receptor type 5 1000 ChEMBL 10.1021/np049974l 10.7270/Q29Z94P3 15217290 Jayasuriya, H; Herath, KB; Ondeyka, JG; Polishook, JD; Bills, GF; Dombrowski, AW; Springer, MS; Siciliano, S; Malkowitz, L; Sanchez, M; Guan, Z; Tiwari, S; Stevenson, DW; Borris, RP; Singh, SB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6479877 104098933 CHEMBL469649CHEMBL2057533 ZINC44405966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50274631 C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)C(=O)[C@](C)(O)[C@@H]3O[C@H]3[C@H]2OC(C)=O)[C@@H]2O[C@]12C InChI=1S/C30H37NO7/c1-15-10-9-13-19-24-29(5,38-24)16(2)21-20(14-18-11-7-6-8-12-18)31-27(34)30(19,21)26(36-17(3)32)22-25(37-22)28(4,35)23(15)33/h6-9,11-13,15-16,19-22,24-26,35H,10,14H2,1-5H3,(H,31,34)/b13-9+/t15-,16-,19-,20-,21-,22+,24-,25+,26+,28-,29+,30-/m0/s1 GSPOYKSHFNFUKI-HDSNRSDKSA-N 50242055 19,20-epoxycytochalasin Q::CHEMBL449278 C-C chemokine receptor type 5 60000 ChEMBL 10.1021/np049974l 10.7270/Q29Z94P3 15217290 Jayasuriya, H; Herath, KB; Ondeyka, JG; Polishook, JD; Bills, GF; Dombrowski, AW; Springer, MS; Siciliano, S; Malkowitz, L; Sanchez, M; Guan, Z; Tiwari, S; Stevenson, DW; Borris, RP; Singh, SB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242055&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44559501 104098935 CHEMBL449278 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50274632 C[C@@H](CCC=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12 InChI=1S/C25H38O3/c1-16(2)7-6-8-17(3)19-11-12-24(4)13-21-23(22(27)14-25(21,5)28)18(15-26)9-10-20(19)24/h7,9,15,17,19-21,23,28H,6,8,10-14H2,1-5H3/b18-9-/t17-,19+,20-,21-,23+,24+,25+/m0/s1 PLWMYIADTRHIMY-BNFAVABNSA-N 50242054 CHEMBL469855::ophiobolin C C-C chemokine receptor type 5 40000 ChEMBL 10.1021/np049974l 10.7270/Q29Z94P3 15217290 Jayasuriya, H; Herath, KB; Ondeyka, JG; Polishook, JD; Bills, GF; Dombrowski, AW; Springer, MS; Siciliano, S; Malkowitz, L; Sanchez, M; Guan, Z; Tiwari, S; Stevenson, DW; Borris, RP; Singh, SB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242054&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11234566 104098934 CHEMBL469855 ZINC38496342 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50274633 CC1OC(=O)c2c1c(O)c(O)c1OC(C)(C)CCc21 InChI=1S/C14H16O5/c1-6-8-9(13(17)18-6)7-4-5-14(2,3)19-12(7)11(16)10(8)15/h6,15-16H,4-5H2,1-3H3 VXRIEWIAVSRHJN-UHFFFAOYSA-N 50242056 CHEMBL469856::fuscinarin C-C chemokine receptor type 5 20000 ChEMBL 10.1021/np049974l 10.7270/Q29Z94P3 15217290 Jayasuriya, H; Herath, KB; Ondeyka, JG; Polishook, JD; Bills, GF; Dombrowski, AW; Springer, MS; Siciliano, S; Malkowitz, L; Sanchez, M; Guan, Z; Tiwari, S; Stevenson, DW; Borris, RP; Singh, SB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242056&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10445499 104098936 CHEMBL469856 ZINC15248849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260772 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2[nH]ncc2Cc2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-30(31(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)32-29(21-35-36-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-28,30-31,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t30-,31+,33+/m0/s1 PFQMJEOTSDKJES-RKKDRKJOSA-N 50141833 (R)-2-((3S,4S)-3-((4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353827::{3-[4-(4-Benzyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 4.8 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141833&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516334 104031286 CHEMBL353827 ZINC28007430 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260773 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2[nH]ncc2C(=O)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C34H42N4O3/c39-33(27-14-8-3-9-15-27)29-20-35-36-31(29)25-16-18-37(19-17-25)21-28-22-38(23-30(28)24-10-4-1-5-11-24)32(34(40)41)26-12-6-2-7-13-26/h1,3-5,8-11,14-15,20,25-26,28,30,32H,2,6-7,12-13,16-19,21-23H2,(H,35,36)(H,40,41)/t28-,30+,32+/m0/s1 DVADDWCVKWRTAC-QTKNLHBISA-N 50141834 CHEMBL435724::{3-[4-(4-Benzoyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 41 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141834&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44383760 104031287 CHEMBL435724 ZINC28008919 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260774 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(n[nH]2)-c2cccc3ccccc23)[C@H](C1)c1ccccc1 InChI=1S/C37H44N4O2/c42-37(43)36(29-13-5-2-6-14-29)41-24-30(33(25-41)27-10-3-1-4-11-27)23-40-20-18-28(19-21-40)34-22-35(39-38-34)32-17-9-15-26-12-7-8-16-31(26)32/h1,3-4,7-12,15-17,22,28-30,33,36H,2,5-6,13-14,18-21,23-25H2,(H,38,39)(H,42,43)/t30-,33+,36+/m0/s1 SFZUCFWFYJJCGY-RJISLUCMSA-N 50141835 CHEMBL366439::Cyclohexyl-{3-[4-(5-naphthalen-1-yl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 7.5 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141835&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516348 104031288 CHEMBL366439 ZINC28011326 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260775 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H46N2O2/c36-33(37)32(29-17-8-3-9-18-29)35-24-30(31(25-35)28-15-6-2-7-16-28)23-34-21-19-27(20-22-34)14-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,15-16,27,29-32H,3,8-10,13-14,17-25H2,(H,36,37)/t30-,31+,32+/m0/s1 SUKMVMFONPSNRM-DCMFLLSESA-N 50119336 2-cyclohexyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL102826::Cyclohexyl-{3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119336&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501055 104012554 CHEMBL102826 ZINC13819429 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260776 CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-34(31(23-37-40)22-27-12-6-3-7-13-27)30-18-20-38(21-19-30)24-32-25-39(26-33(32)28-14-8-4-9-15-28)35(36(41)42)29-16-10-5-11-17-29/h3-4,6-9,12-15,23,29-30,32-33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t32-,33+,35+/m0/s1 ABASHAPKXWJBNZ-VUHKNJSWSA-N 50141838 (R)-2-((3S,4S)-3-((4-(4-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL368265::{3-[4-(4-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141838&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516332 104031291 CHEMBL368265 ZINC28008519 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260777 CC(C)(c1cn[nH]c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ccccc1 InChI=1S/C36H48N4O2/c1-36(2,30-16-10-5-11-17-30)32-22-37-38-33(32)27-18-20-39(21-19-27)23-29-24-40(25-31(29)26-12-6-3-7-13-26)34(35(41)42)28-14-8-4-9-15-28/h3,5-7,10-13,16-17,22,27-29,31,34H,4,8-9,14-15,18-21,23-25H2,1-2H3,(H,37,38)(H,41,42)/t29-,31+,34+/m0/s1 GHILCKDNBGGCIM-JUERCWOXSA-N 50141837 CHEMBL173262::Cyclohexyl-(3-{4-[4-(1-methyl-1-phenyl-ethyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-acetic acid C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141837&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384011 104031290 CHEMBL173262 ZINC28012888 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260778 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2oncc2Cc2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O3/c38-34(39)32(27-14-8-3-9-15-27)37-23-30(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-29(21-35-40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-28,30-32H,3,8-9,14-20,22-24H2,(H,38,39)/t30-,31+,32+/m0/s1 HSHKKXRXLZJPEI-DCMFLLSESA-N 50141839 CHEMBL435709::{3-[4-(4-Benzyl-isoxazol-5-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141839&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384927 104031292 CHEMBL435709 ZINC28091538 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260779 CCn1ncc(c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)C1(CC1)c1ccccc1 InChI=1S/C38H50N4O2/c1-2-42-35(34(24-39-42)38(20-21-38)32-16-10-5-11-17-32)30-18-22-40(23-19-30)25-31-26-41(27-33(31)28-12-6-3-7-13-28)36(37(43)44)29-14-8-4-9-15-29/h3,5-7,10-13,16-17,24,29-31,33,36H,2,4,8-9,14-15,18-23,25-27H2,1H3,(H,43,44)/t31-,33+,36+/m0/s1 MWMCKYWBZAGQLG-JNYUFQCESA-N 50141840 CHEMBL433980::Cyclohexyl-(3-{4-[2-ethyl-4-(1-phenyl-cyclopropyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-acetic acid C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141840&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384969 104031293 CHEMBL433980 ZINC28015771 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260780 CCCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C38H52N4O2/c1-2-22-42-36(33(25-39-42)19-18-29-12-6-3-7-13-29)32-20-23-40(24-21-32)26-34-27-41(28-35(34)30-14-8-4-9-15-30)37(38(43)44)31-16-10-5-11-17-31/h3-4,6-9,12-15,25,31-32,34-35,37H,2,5,10-11,16-24,26-28H2,1H3,(H,43,44)/t34-,35+,37+/m0/s1 PCDLAZBOJIOXQD-UQDPWRLZSA-N 50141841 CHEMBL367837::Cyclohexyl-{3-[4-(4-phenethyl-2-propyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141841&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516337 104031294 CHEMBL367837 ZINC28011255 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260781 COc1ccc(cc1)-c1cc([nH]n1)C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C34H43FN4O3/c1-42-29-12-10-23(11-13-29)31-19-32(37-36-31)24-14-16-38(17-15-24)20-27-21-39(22-30(27)26-8-5-9-28(35)18-26)33(34(40)41)25-6-3-2-4-7-25/h5,8-13,18-19,24-25,27,30,33H,2-4,6-7,14-17,20-22H2,1H3,(H,36,37)(H,40,41)/t27-,30+,33+/m0/s1 ZZHYYHDLFCTNSX-LTXBTDFWSA-N 50141842 CHEMBL435526::Cyclohexyl-(3-(3-fluoro-phenyl)-4-{4-[5-(4-methoxy-phenyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-acetic acid C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141842&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516352 104031295 CHEMBL435526 ZINC28008611 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260782 CCn1cc(CCc2ccccc2)c(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H50N4O2/c1-2-41-26-32(19-18-28-12-6-3-7-13-28)35(38-41)30-20-22-39(23-21-30)24-33-25-40(27-34(33)29-14-8-4-9-15-29)36(37(42)43)31-16-10-5-11-17-31/h3-4,6-9,12-15,26,30-31,33-34,36H,2,5,10-11,16-25,27H2,1H3,(H,42,43)/t33-,34+,36+/m0/s1 CAJQJFGPPJJDPS-GABYNLOESA-N 50141843 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(1-ethyl-4-phenethyl-1H-pyrazol-3-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::CHEMBL366626::Cyclohexyl-{3-[4-(1-ethyl-4-phenethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 2.3 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141843&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516339 104031296 CHEMBL366626 ZINC28014184 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260783 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)[nH]n2)[C@H](C1)c1ccccc1 InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-29(31(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)32-21-30(35-36-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t29-,31+,33+/m0/s1 QAIJWPOWXKGVJQ-KCTCJIHVSA-N 50141845 (R)-2-((3S,4S)-3-((4-(3-benzyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL172659::{3-[4-(5-Benzyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 2.2 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141845&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516325 104031298 CHEMBL172659 ZINC28015765 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260784 CCn1cc(Cc2ccccc2)c(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-25-31(22-27-12-6-3-7-13-27)34(37-40)29-18-20-38(21-19-29)23-32-24-39(26-33(32)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,25,29-30,32-33,35H,2,5,10-11,16-24,26H2,1H3,(H,41,42)/t32-,33+,35+/m0/s1 WXGYWZXOTMEBIY-VUHKNJSWSA-N 50141846 (R)-2-((3S,4S)-3-((4-(4-benzyl-1-ethyl-1H-pyrazol-3-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL170987::{3-[4-(4-Benzyl-1-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141846&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516338 104031299 CHEMBL170987 ZINC53275910 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260785 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2[nH]ncc2C2(CC2)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C36H46N4O2/c41-35(42)34(28-12-6-2-7-13-28)40-24-29(31(25-40)26-10-4-1-5-11-26)23-39-20-16-27(17-21-39)33-32(22-37-38-33)36(18-19-36)30-14-8-3-9-15-30/h1,3-5,8-11,14-15,22,27-29,31,34H,2,6-7,12-13,16-21,23-25H2,(H,37,38)(H,41,42)/t29-,31+,34+/m0/s1 GJXUXVVFUGSMMQ-JUERCWOXSA-N 50141844 CHEMBL172845::Cyclohexyl-(3-phenyl-4-{4-[4-(1-phenyl-cyclopropyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-acetic acid C-C chemokine receptor type 5 4.4 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141844&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384642 104031297 CHEMBL172845 ZINC28019641 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260786 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(n[nH]2)-c2ccc(Cl)cc2Cl)[C@H](C1)c1cccc(F)c1 InChI=1S/C33H39Cl2FN4O2/c34-25-9-10-27(29(35)16-25)31-17-30(37-38-31)21-11-13-39(14-12-21)18-24-19-40(20-28(24)23-7-4-8-26(36)15-23)32(33(41)42)22-5-2-1-3-6-22/h4,7-10,15-17,21-22,24,28,32H,1-3,5-6,11-14,18-20H2,(H,37,38)(H,41,42)/t24-,28+,32+/m0/s1 AXEFQHJHLHVSPB-RZBJZMOUSA-N 50141847 CHEMBL170717::Cyclohexyl-[3-{4-[5-(2,4-dichloro-phenyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid C-C chemokine receptor type 5 9 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141847&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516350 104031300 CHEMBL170717 ZINC28006751 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260787 CCn1nc(CCc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H49FN4O2/c1-2-42-35(23-33(39-42)17-16-27-10-5-3-6-11-27)28-18-20-40(21-19-28)24-31-25-41(26-34(31)30-14-9-15-32(38)22-30)36(37(43)44)29-12-7-4-8-13-29/h3,5-6,9-11,14-15,22-23,28-29,31,34,36H,2,4,7-8,12-13,16-21,24-26H2,1H3,(H,43,44)/t31-,34+,36+/m0/s1 DXAUQEOHONCARU-FFPQSLRISA-N 50141848 CHEMBL367838::Cyclohexyl-[3-[4-(2-ethyl-5-phenethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid C-C chemokine receptor type 5 2.2 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141848&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516353 104031301 CHEMBL367838 ZINC28011839 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260788 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2[nH]ncc2C(F)(F)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C34H42F2N4O2/c35-34(36,28-14-8-3-9-15-28)30-20-37-38-31(30)25-16-18-39(19-17-25)21-27-22-40(23-29(27)24-10-4-1-5-11-24)32(33(41)42)26-12-6-2-7-13-26/h1,3-5,8-11,14-15,20,25-27,29,32H,2,6-7,12-13,16-19,21-23H2,(H,37,38)(H,41,42)/t27-,29+,32+/m0/s1 VAQXLOKMXJKNKW-RTKAOUNRSA-N 50141850 CHEMBL170543::Cyclohexyl-(3-{4-[4-(difluoro-phenyl-methyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-acetic acid C-C chemokine receptor type 5 2.1 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141850&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44383787 104031303 CHEMBL170543 ZINC28007040 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260789 CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccccc1 InChI=1S/C35H46N4O2/c1-2-39-33(22-32(36-39)27-14-8-4-9-15-27)28-18-20-37(21-19-28)23-30-24-38(25-31(30)26-12-6-3-7-13-26)34(35(40)41)29-16-10-5-11-17-29/h3-4,6-9,12-15,22,28-31,34H,2,5,10-11,16-21,23-25H2,1H3,(H,40,41)/t30-,31+,34+/m0/s1 KJLMBMNGYISETQ-BEJSXWRTSA-N 50141836 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(1-ethyl-3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::CHEMBL366450::Cyclohexyl-{3-[4-(2-ethyl-5-phenyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141836&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516344 104031289 CHEMBL366450 ZINC28010804 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260790 CCc1cc(Cc2ccccc2)n(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-31-23-33(22-27-12-6-3-7-13-27)40(37-31)32-18-20-38(21-19-32)24-30-25-39(26-34(30)28-14-8-4-9-15-28)35(36(41)42)29-16-10-5-11-17-29/h3-4,6-9,12-15,23,29-30,32,34-35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t30-,34+,35+/m0/s1 VRQFNMMHPRKRCS-KGJXQKDRSA-N 50141852 CHEMBL173609::{3-[4-(5-Benzyl-3-ethyl-pyrazol-1-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 78 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141852&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516319 104031305 CHEMBL173609 ZINC28009257 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260791 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(n[nH]2)-c2ccc(Cl)cc2)[C@H](C1)c1cccc(F)c1 InChI=1S/C33H40ClFN4O2/c34-27-11-9-22(10-12-27)30-18-31(37-36-30)23-13-15-38(16-14-23)19-26-20-39(21-29(26)25-7-4-8-28(35)17-25)32(33(40)41)24-5-2-1-3-6-24/h4,7-12,17-18,23-24,26,29,32H,1-3,5-6,13-16,19-21H2,(H,36,37)(H,40,41)/t26-,29+,32+/m0/s1 RPCZLCGFLIHYAS-MRPJDYLLSA-N 50141853 CHEMBL174303::[3-{4-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141853&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516351 104031306 CHEMBL174303 ZINC28006360 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260792 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2[nH]ncc2CCc2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C35H46N4O2/c40-35(41)34(29-14-8-3-9-15-29)39-24-31(32(25-39)27-12-6-2-7-13-27)23-38-20-18-28(19-21-38)33-30(22-36-37-33)17-16-26-10-4-1-5-11-26/h1-2,4-7,10-13,22,28-29,31-32,34H,3,8-9,14-21,23-25H2,(H,36,37)(H,40,41)/t31-,32+,34+/m0/s1 CJYZOGUCFFILDE-VOTWKOMSSA-N 50141858 CHEMBL367787::Cyclohexyl-{3-[4-(4-phenethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141858&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516335 104031311 CHEMBL367787 ZINC28018746 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260793 CCn1ncc(C(=O)c2ccccc2)c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H46N4O3/c1-2-40-33(31(22-37-40)35(41)29-16-10-5-11-17-29)28-18-20-38(21-19-28)23-30-24-39(25-32(30)26-12-6-3-7-13-26)34(36(42)43)27-14-8-4-9-15-27/h3,5-7,10-13,16-17,22,27-28,30,32,34H,2,4,8-9,14-15,18-21,23-25H2,1H3,(H,42,43)/t30-,32+,34+/m0/s1 RQENQUZYSHUSAF-DEIXXNFJSA-N 50141859 CHEMBL413058::{3-[4-(4-Benzoyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141859&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384012 104031312 CHEMBL413058 ZINC28011495 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260794 CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1cccc2ccccc12 InChI=1S/C39H47FN4O2/c1-2-44-37(23-36(41-44)34-17-9-13-27-10-6-7-16-33(27)34)28-18-20-42(21-19-28)24-31-25-43(26-35(31)30-14-8-15-32(40)22-30)38(39(45)46)29-11-4-3-5-12-29/h6-10,13-17,22-23,28-29,31,35,38H,2-5,11-12,18-21,24-26H2,1H3,(H,45,46)/t31-,35+,38+/m0/s1 ABERAISYKNNXRL-PHYCXYHLSA-N 50141857 CHEMBL172944::Cyclohexyl-[3-[4-(2-ethyl-5-naphthalen-1-yl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid C-C chemokine receptor type 5 16 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141857&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516349 104031310 CHEMBL172944 ZINC28011321 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260796 Cn1cc(CCc2ccccc2)c(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-38-23-31(18-17-27-11-5-2-6-12-27)34(37-38)29-19-21-39(22-20-29)24-32-25-40(26-33(32)28-13-7-3-8-14-28)35(36(41)42)30-15-9-4-10-16-30/h2-3,5-8,11-14,23,29-30,32-33,35H,4,9-10,15-22,24-26H2,1H3,(H,41,42)/t32-,33+,35+/m0/s1 CDQNFYDAQGBSAS-VUHKNJSWSA-N 50141854 CHEMBL172721::Cyclohexyl-{3-[4-(1-methyl-4-phenethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141854&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516340 104031307 CHEMBL172721 ZINC28014175 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260798 CCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H50N4O2/c1-2-41-35(32(24-38-41)19-18-28-12-6-3-7-13-28)31-20-22-39(23-21-31)25-33-26-40(27-34(33)29-14-8-4-9-15-29)36(37(42)43)30-16-10-5-11-17-30/h3-4,6-9,12-15,24,30-31,33-34,36H,2,5,10-11,16-23,25-27H2,1H3,(H,42,43)/t33-,34+,36+/m0/s1 LOUCFMTWTFVRPW-GABYNLOESA-N 50141855 CHEMBL352981::Cyclohexyl-{3-[4-(2-ethyl-4-phenethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141855&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516333 104031308 CHEMBL352981 ZINC28008054 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260799 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1ccccc1 InChI=1S/C32H40ClN3O4S/c1-3-36(32(37)40-25-26-11-6-4-7-12-26)30-18-21-35(22-19-30)20-17-28(27-13-10-14-29(33)23-27)24-34(2)41(38,39)31-15-8-5-9-16-31/h4-16,23,28,30H,3,17-22,24-25H2,1-2H3/t28-/m1/s1 KWILXWLMEXXFLT-MUUNZHRXSA-N 50104249 CHEMBL81252::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester::{1-[4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 2.4 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104249&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486601 104000208 CHEMBL81252 ZINC26494291 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260800 CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H50N4O2/c1-2-20-41-35(24-33(38-41)23-28-12-6-3-7-13-28)30-18-21-39(22-19-30)25-32-26-40(27-34(32)29-14-8-4-9-15-29)36(37(42)43)31-16-10-5-11-17-31/h3-4,6-9,12-15,24,30-32,34,36H,2,5,10-11,16-23,25-27H2,1H3,(H,42,43)/t32-,34+,36+/m0/s1 JDBQXMMPIGKZPM-DELQJEEYSA-N 50141860 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-propyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL367421::{3-[4-(5-Benzyl-2-propyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 4.6 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141860&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516327 104031313 CHEMBL367421 ZINC28010415 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260801 CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccc(cc1)C#N InChI=1S/C36H45N5O2/c1-2-41-34(21-33(38-41)28-15-13-26(22-37)14-16-28)29-17-19-39(20-18-29)23-31-24-40(25-32(31)27-9-5-3-6-10-27)35(36(42)43)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21,29-32,35H,2,4,7-8,11-12,17-20,23-25H2,1H3,(H,42,43)/t31-,32+,35+/m0/s1 KNIXPLDGCHJLNU-GTXBZULCSA-N 50141849 (3-{4-[5-(4-Cyano-phenyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-acetic acid::(R)-2-((3S,4S)-3-((4-(3-(4-cyanophenyl)-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL172761 C-C chemokine receptor type 5 16 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141849&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516345 104031302 CHEMBL172761 ZINC28010799 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260802 CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C38H52N4O2/c1-2-3-21-42-36(25-34(39-42)24-29-13-7-4-8-14-29)31-19-22-40(23-20-31)26-33-27-41(28-35(33)30-15-9-5-10-16-30)37(38(43)44)32-17-11-6-12-18-32/h4-5,7-10,13-16,25,31-33,35,37H,2-3,6,11-12,17-24,26-28H2,1H3,(H,43,44)/t33-,35+,37+/m0/s1 XKTMBPJXKQPVLC-CVZYHWGHSA-N 50141862 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-butyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL366536::{3-[4-(5-Benzyl-2-butyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141862&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516328 104031315 CHEMBL366536 ZINC28011905 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260803 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2nocc2Cc2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O3/c38-34(39)33(28-14-8-3-9-15-28)37-22-30(31(23-37)26-12-6-2-7-13-26)21-36-18-16-27(17-19-36)32-29(24-40-35-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,24,27-28,30-31,33H,3,8-9,14-23H2,(H,38,39)/t30-,31+,33+/m0/s1 SXGWCYQQRNNIRO-RKKDRKJOSA-N 50141861 CHEMBL173064::{3-[4-(4-Benzyl-isoxazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141861&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384875 104031314 CHEMBL173064 ZINC28015558 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260804 OC(=O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H46N4O4/c41-34(42)25-40-33(21-31(37-40)20-26-10-4-1-5-11-26)28-16-18-38(19-17-28)22-30-23-39(24-32(30)27-12-6-2-7-13-27)35(36(43)44)29-14-8-3-9-15-29/h1-2,4-7,10-13,21,28-30,32,35H,3,8-9,14-20,22-25H2,(H,41,42)(H,43,44)/t30-,32+,35+/m0/s1 FNYOWVRRUVNPJZ-POTGHWNKSA-N 50141864 CHEMBL174283::{3-[4-(5-Benzyl-2-carboxymethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 33 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141864&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516331 104031317 CHEMBL174283 ZINC28007690 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260805 Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C35H46N4O2/c1-37-33(22-31(36-37)21-26-11-5-2-6-12-26)28-17-19-38(20-18-28)23-30-24-39(25-32(30)27-13-7-3-8-14-27)34(35(40)41)29-15-9-4-10-16-29/h2-3,5-8,11-14,22,28-30,32,34H,4,9-10,15-21,23-25H2,1H3,(H,40,41)/t30-,32+,34+/m0/s1 GSRFNZQXYDIODH-DEIXXNFJSA-N 50141863 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL176392::{3-[4-(5-Benzyl-2-methyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 4.2 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141863&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516326 104031316 CHEMBL176392 ZINC55646883 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260806 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(n[nH]2)-c2ccc(cc2)C#N)[C@H](C1)c1ccccc1 InChI=1S/C34H41N5O2/c35-20-24-11-13-26(14-12-24)31-19-32(37-36-31)27-15-17-38(18-16-27)21-29-22-39(23-30(29)25-7-3-1-4-8-25)33(34(40)41)28-9-5-2-6-10-28/h1,3-4,7-8,11-14,19,27-30,33H,2,5-6,9-10,15-18,21-23H2,(H,36,37)(H,40,41)/t29-,30+,33+/m0/s1 YLNKIGCUCCEUNE-AARCXHMLSA-N 50141851 (3-{4-[5-(4-Cyano-phenyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-acetic acid::CHEMBL367446 C-C chemokine receptor type 5 7.5 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141851&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516347 104031304 CHEMBL367446 ZINC28010432 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260807 CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccc(CN)cc1 InChI=1S/C36H49N5O2/c1-2-41-34(21-33(38-41)28-15-13-26(22-37)14-16-28)29-17-19-39(20-18-29)23-31-24-40(25-32(31)27-9-5-3-6-10-27)35(36(42)43)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21,29-32,35H,2,4,7-8,11-12,17-20,22-25,37H2,1H3,(H,42,43)/t31-,32+,35+/m0/s1 YJMFAXOJBXHJLD-GTXBZULCSA-N 50141867 (3-{4-[5-(4-Aminomethyl-phenyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-acetic acid::(R)-2-((3S,4S)-3-((4-(3-(4-(aminomethyl)phenyl)-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL368757 C-C chemokine receptor type 5 112 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141867&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516346 104031320 CHEMBL368757 ZINC28011792 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260808 Cn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-38-34(31(23-37-38)18-17-27-11-5-2-6-12-27)30-19-21-39(22-20-30)24-32-25-40(26-33(32)28-13-7-3-8-14-28)35(36(41)42)29-15-9-4-10-16-29/h2-3,5-8,11-14,23,29-30,32-33,35H,4,9-10,15-22,24-26H2,1H3,(H,41,42)/t32-,33+,35+/m0/s1 NMBWUFYTQZILMB-VUHKNJSWSA-N 50141869 CHEMBL368183::Cyclohexyl-{3-[4-(2-methyl-4-phenethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141869&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516336 104031322 CHEMBL368183 ZINC28008894 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260809 CCc1cc(CCc2ccccc2)nn1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H50N4O2/c1-2-33-24-32(19-18-28-12-6-3-7-13-28)38-41(33)34-20-22-39(23-21-34)25-31-26-40(27-35(31)29-14-8-4-9-15-29)36(37(42)43)30-16-10-5-11-17-30/h3-4,6-9,12-15,24,30-31,34-36H,2,5,10-11,16-23,25-27H2,1H3,(H,42,43)/t31-,35+,36+/m0/s1 CZTSJVHNDALIPA-BTLFPPEZSA-N 50141868 CHEMBL171911::Cyclohexyl-{3-[4-(5-ethyl-3-phenethyl-pyrazol-1-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 105 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141868&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3007227 104031321 CHEMBL171911 ZINC28016740 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260810 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC(F)(F)F)[C@H](C1)c1ccccc1 InChI=1S/C36H45F3N4O2/c37-36(38,39)25-43-33(21-31(40-43)20-26-10-4-1-5-11-26)28-16-18-41(19-17-28)22-30-23-42(24-32(30)27-12-6-2-7-13-27)34(35(44)45)29-14-8-3-9-15-29/h1-2,4-7,10-13,21,28-30,32,34H,3,8-9,14-20,22-25H2,(H,44,45)/t30-,32+,34+/m0/s1 KYMFFPXQUJYRLZ-DEIXXNFJSA-N 50141865 (3-{4-[5-Benzyl-2-(2,2,2-trifluoro-ethyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-acetic acid::CHEMBL367863 C-C chemokine receptor type 5 4.8 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141865&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516329 104031318 CHEMBL367863 ZINC28011899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260811 CCn1nc(cc1Cc1ccccc1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-32(22-27-12-6-3-7-13-27)23-34(37-40)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1 ILBDFKGQNFCVSY-LWKLBADKSA-N 50141866 CHEMBL367894::{3-[4-(5-Benzyl-1-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 76 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141866&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516315 104031319 CHEMBL367894 ZINC53132157 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260812 CCCn1cc(CCc2ccccc2)c(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C38H52N4O2/c1-2-22-42-27-33(19-18-29-12-6-3-7-13-29)36(39-42)31-20-23-40(24-21-31)25-34-26-41(28-35(34)30-14-8-4-9-15-30)37(38(43)44)32-16-10-5-11-17-32/h3-4,6-9,12-15,27,31-32,34-35,37H,2,5,10-11,16-26,28H2,1H3,(H,43,44)/t34-,35+,37+/m0/s1 KDBYGNXOSUZUDJ-UQDPWRLZSA-N 50141872 CHEMBL369189::Cyclohexyl-{3-[4-(4-phenethyl-1-propyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 9 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141872&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516341 104031325 CHEMBL369189 ZINC28010068 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260813 CCn1ncc(c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)C(C)(C)c1ccccc1 InChI=1S/C38H52N4O2/c1-4-42-35(34(24-39-42)38(2,3)32-18-12-7-13-19-32)30-20-22-40(23-21-30)25-31-26-41(27-33(31)28-14-8-5-9-15-28)36(37(43)44)29-16-10-6-11-17-29/h5,7-9,12-15,18-19,24,29-31,33,36H,4,6,10-11,16-17,20-23,25-27H2,1-3H3,(H,43,44)/t31-,33+,36+/m0/s1 XRWNBFQERAJNQF-JNYUFQCESA-N 50141870 CHEMBL355749::Cyclohexyl-(3-{4-[2-ethyl-4-(1-methyl-1-phenyl-ethyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-acetic acid C-C chemokine receptor type 5 6.9 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141870&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384705 104031323 CHEMBL355749 ZINC28015167 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260814 CCOC(=O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C38H50N4O4/c1-2-46-36(43)27-42-35(23-33(39-42)22-28-12-6-3-7-13-28)30-18-20-40(21-19-30)24-32-25-41(26-34(32)29-14-8-4-9-15-29)37(38(44)45)31-16-10-5-11-17-31/h3-4,6-9,12-15,23,30-32,34,37H,2,5,10-11,16-22,24-27H2,1H3,(H,44,45)/t32-,34+,37+/m0/s1 RWVHBGCCFQXQBP-XNLCPIGASA-N 50141871 CHEMBL368517::{3-[4-(5-Benzyl-2-ethoxycarbonylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 9 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141871&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516330 104031324 CHEMBL368517 ZINC28007693 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260815 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCC2)C(O)=O)CC1 InChI=1S/C34H44N4O2/c1-2-38-32(21-30(35-38)20-25-10-5-3-6-11-25)27-16-18-36(19-17-27)22-29-23-37(33(34(39)40)28-14-9-15-28)24-31(29)26-12-7-4-8-13-26/h3-8,10-13,21,27-29,31,33H,2,9,14-20,22-24H2,1H3,(H,39,40)/t29-,31+,33+/m0/s1 MVLFEXABAZSRER-KCTCJIHVSA-N 50141873 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclobutylacetic acid::CHEMBL352514::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclobutyl-acetic acid C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141873&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516365 104031326 CHEMBL352514 ZINC28005899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260816 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C34H45FN4O2/c1-5-39-31(20-29(36-39)18-24-10-7-6-8-11-24)25-14-16-37(17-15-25)21-27-22-38(32(33(40)41)34(2,3)4)23-30(27)26-12-9-13-28(35)19-26/h6-13,19-20,25,27,30,32H,5,14-18,21-23H2,1-4H3,(H,40,41)/t27-,30+,32-/m0/s1 IIVZUBFHVGRROU-KUYURNMDSA-N 50141874 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3,3-dimethylbutanoic acid::(R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL172854 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516260 104031327 CHEMBL172854 ZINC28018010 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260817 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C34H45FN4O2/c1-4-24(3)33(34(40)41)38-22-28(31(23-38)27-12-9-13-29(35)19-27)21-37-16-14-26(15-17-37)32-20-30(36-39(32)5-2)18-25-10-7-6-8-11-25/h6-13,19-20,24,26,28,31,33H,4-5,14-18,21-23H2,1-3H3,(H,40,41)/t24-,28-,31+,33+/m0/s1 MDTAKMHHAHITNR-ONPYCXCXSA-N 50141875 (2R,3S)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL174457 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141875&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516203 104031328 CHEMBL174457 ZINC28010739 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260818 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@](C)(C(C)C)C(O)=O)CC1 InChI=1S/C34H45FN4O2/c1-5-39-32(20-30(36-39)18-25-10-7-6-8-11-25)26-14-16-37(17-15-26)21-28-22-38(34(4,24(2)3)33(40)41)23-31(28)27-12-9-13-29(35)19-27/h6-13,19-20,24,26,28,31H,5,14-18,21-23H2,1-4H3,(H,40,41)/t28-,31+,34-/m0/s1 VNPRRWYEJITHNB-HWCFGDHISA-N 50141876 2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-2,3-dimethyl-butyric acid::CHEMBL368637 C-C chemokine receptor type 5 5.5 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141876&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516368 104031329 CHEMBL368637 ZINC28016658 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260819 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@](C)(C(C)C)C(O)=O)CC1 InChI=1S/C34H45FN4O2/c1-5-39-32(20-30(36-39)18-25-10-7-6-8-11-25)26-14-16-37(17-15-26)21-28-22-38(34(4,24(2)3)33(40)41)23-31(28)27-12-9-13-29(35)19-27/h6-13,19-20,24,26,28,31H,5,14-18,21-23H2,1-4H3,(H,40,41)/t28-,31+,34+/m0/s1 VNPRRWYEJITHNB-LKQHQURMSA-N 50141877 2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-2,3-dimethyl-butyric acid::CHEMBL172371 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141877&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516367 104031330 CHEMBL172371 ZINC28015967 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260820 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H44N4O2/c1-4-37-31(20-29(34-37)19-25-11-7-5-8-12-25)27-15-17-35(18-16-27)21-28-22-36(32(24(2)3)33(38)39)23-30(28)26-13-9-6-10-14-26/h5-14,20,24,27-28,30,32H,4,15-19,21-23H2,1-3H3,(H,38,39)/t28-,30+,32+/m0/s1 AEIOWUHRHMTSSU-QTKNLHBISA-N 50141878 2-{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-3-methyl-butyric acid::CHEMBL172551 C-C chemokine receptor type 5 2.8 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141878&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516364 104031331 CHEMBL172551 ZINC28014080 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260821 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H47FN4O2/c1-2-41-34(22-32(38-41)20-26-10-5-3-6-11-26)27-16-18-39(19-17-27)23-30-24-40(25-33(30)29-14-9-15-31(37)21-29)35(36(42)43)28-12-7-4-8-13-28/h3,5-6,9-11,14-15,21-22,27-28,30,33,35H,2,4,7-8,12-13,16-20,23-25H2,1H3,(H,42,43)/t30-,33+,35+/m0/s1 NGQNBQOIRABSGM-KZDQMGDASA-N 50141879 (R)-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL353330::[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141879&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516294 104031332 CHEMBL353330 ZINC28015152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260822 CCC(CC)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H47FN4O2/c1-4-26(5-2)34(35(41)42)39-23-29(32(24-39)28-13-10-14-30(36)20-28)22-38-17-15-27(16-18-38)33-21-31(37-40(33)6-3)19-25-11-8-7-9-12-25/h7-14,20-21,26-27,29,32,34H,4-6,15-19,22-24H2,1-3H3,(H,41,42)/t29-,32+,34+/m0/s1 VGAHBVMCYNCLAQ-ABAVYFCKSA-N 50141880 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-ethylpentanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-ethyl-pentanoic acid::CHEMBL435727 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141880&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516366 104031333 CHEMBL435727 ZINC28008924 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260824 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C34H45FN4O2/c1-4-24(3)33(34(40)41)38-22-28(31(23-38)27-12-9-13-29(35)19-27)21-37-16-14-26(15-17-37)32-20-30(36-39(32)5-2)18-25-10-7-6-8-11-25/h6-13,19-20,24,26,28,31,33H,4-5,14-18,21-23H2,1-3H3,(H,40,41)/t24-,28+,31-,33-/m1/s1 MDTAKMHHAHITNR-FKCWAMBHSA-N 50141881 (2R,3R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL435538 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141881&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516236 104031334 CHEMBL435538 ZINC28017371 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260826 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H43FN4O2/c1-4-38-31(19-29(35-38)17-24-9-6-5-7-10-24)25-13-15-36(16-14-25)20-27-21-37(32(23(2)3)33(39)40)22-30(27)26-11-8-12-28(34)18-26/h5-12,18-19,23,25,27,30,32H,4,13-17,20-22H2,1-3H3,(H,39,40)/t27-,30+,32+/m0/s1 QTGSINBFNYAXSI-HYRLGQOJSA-N 50141883 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-methylbutanoic acid::(R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL174304 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141883&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516173 104031336 CHEMBL174304 ZINC28012470 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260827 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1 InChI=1S/C34H43FN4O2/c1-2-39-32(20-30(36-39)17-24-7-4-3-5-8-24)26-13-15-37(16-14-26)21-28-22-38(33(34(40)41)18-25-11-12-25)23-31(28)27-9-6-10-29(35)19-27/h3-10,19-20,25-26,28,31,33H,2,11-18,21-23H2,1H3,(H,40,41)/t28-,31+,33+/m0/s1 WYEUTPJDGLHBSW-HTGHOQDLSA-N 50141882 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclopropylpropanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-cyclopropyl-propionic acid::CHEMBL175327 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141882&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516362 104031335 CHEMBL175327 ZINC28090644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260828 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C35H45FN4O2/c1-2-40-33(21-31(37-40)18-25-8-4-3-5-9-25)27-14-16-38(17-15-27)22-29-23-39(34(35(41)42)19-26-10-6-11-26)24-32(29)28-12-7-13-30(36)20-28/h3-5,7-9,12-13,20-21,26-27,29,32,34H,2,6,10-11,14-19,22-24H2,1H3,(H,41,42)/t29-,32+,34+/m0/s1 ZLYNHSASOQYQSU-ABAVYFCKSA-N 50141884 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclobutylpropanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-cyclobutyl-propionic acid::CHEMBL173095 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141884&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516361 104031337 CHEMBL173095 ZINC28011845 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260829 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC(C)C)C(O)=O)CC1 InChI=1S/C34H46N4O2/c1-4-38-32(21-30(35-38)20-26-11-7-5-8-12-26)28-15-17-36(18-16-28)22-29-23-37(33(34(39)40)19-25(2)3)24-31(29)27-13-9-6-10-14-27/h5-14,21,25,28-29,31,33H,4,15-20,22-24H2,1-3H3,(H,39,40)/t29-,31+,33+/m0/s1 ZTZVDDZSGANOSN-KCTCJIHVSA-N 50141885 2-{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-4-methyl-pentanoic acid::CHEMBL170892 C-C chemokine receptor type 5 2.9 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141885&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516363 104031338 CHEMBL170892 ZINC28006204 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260830 CCn1nc(Cc2cccc(OC)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H47FN4O3/c1-6-40-32(20-29(37-40)17-24-9-7-12-30(18-24)43-5)25-13-15-38(16-14-25)21-27-22-39(33(34(41)42)35(2,3)4)23-31(27)26-10-8-11-28(36)19-26/h7-12,18-20,25,27,31,33H,6,13-17,21-23H2,1-5H3,(H,41,42)/t27-,31+,33-/m0/s1 QPGWRXNHJFZWSD-QOCRQHEPSA-N 50141890 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(3-methoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL435554 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141890&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516269 104031343 CHEMBL435554 ZINC28014280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260831 CCn1nc(Cc2ccc(cc2)S(C)(=O)=O)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C34H45FN4O4S/c1-5-39-32(19-29(36-39)17-24-9-11-30(12-10-24)44(4,42)43)25-13-15-37(16-14-25)20-27-21-38(33(23(2)3)34(40)41)22-31(27)26-7-6-8-28(35)18-26/h6-12,18-19,23,25,27,31,33H,5,13-17,20-22H2,1-4H3,(H,40,41)/t27-,31+,33+/m0/s1 NDYUTCXPKZFGFW-TUTZNEALSA-N 50141889 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-methanesulfonyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL173630 C-C chemokine receptor type 5 3.5 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141889&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516186 104031342 CHEMBL173630 ZINC28018741 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260832 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C(C)(C)C)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H53FN4O2/c1-7-26(3)36(37(44)45)42-24-30(34(25-42)29-10-9-11-32(39)21-29)23-41-18-16-28(17-19-41)35-22-33(40-43(35)8-2)20-27-12-14-31(15-13-27)38(4,5)6/h9-15,21-22,26,28,30,34,36H,7-8,16-20,23-25H2,1-6H3,(H,44,45)/t26-,30-,34+,36+/m0/s1 FSHOMAHJUYDWJR-NGZLLANBSA-N 50141888 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-tert-Butyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL279992 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141888&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516234 104031341 CHEMBL279992 ZINC28022002 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260833 CCn1nc(Cc2ccc(OCC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C36H46F4N4O3/c1-5-44-32(19-29(41-44)17-24-9-11-30(12-10-24)47-23-36(38,39)40)25-13-15-42(16-14-25)20-27-21-43(33(34(45)46)35(2,3)4)22-31(27)26-7-6-8-28(37)18-26/h6-12,18-19,25,27,31,33H,5,13-17,20-23H2,1-4H3,(H,45,46)/t27-,31+,33-/m0/s1 NDWYKTGTDRMPDY-QOCRQHEPSA-N 50141886 (R)-2-[(2S,3S)-3-(4-{2-Ethyl-5-[4-(2,2,2-trifluoro-ethoxy)-benzyl]-2H-pyrazol-3-yl}-piperidin-1-ylmethyl)-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL427122 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141886&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516281 104031339 CHEMBL427122 ZINC28087288 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260834 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(OC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C36H49FN4O4/c1-6-24(3)35(36(42)43)40-22-28(31(23-40)27-9-8-10-29(37)19-27)21-39-15-13-26(14-16-39)32-20-30(38-41(32)7-2)17-25-11-12-33(44-4)34(18-25)45-5/h8-12,18-20,24,26,28,31,35H,6-7,13-17,21-23H2,1-5H3,(H,42,43)/t24-,28+,31-,35-/m1/s1 RJVRDLDDCGQDGE-PBFQYQTBSA-N 50141887 (2R,4R)-2-[(2S,3S)-3-{4-[5-(3,4-Dimethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL366871 C-C chemokine receptor type 5 2.6 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141887&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516254 104031340 CHEMBL366871 ZINC28016764 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260835 CCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C41H51FN4O3/c1-5-46-38(24-35(43-46)22-29-14-16-36(17-15-29)49-28-30-10-7-6-8-11-30)31-18-20-44(21-19-31)25-33-26-45(39(40(47)48)41(2,3)4)27-37(33)32-12-9-13-34(42)23-32/h6-17,23-24,31,33,37,39H,5,18-22,25-28H2,1-4H3,(H,47,48)/t33-,37+,39-/m0/s1 OHJXUFLNJCDPTF-ARESMVSKSA-N 50141891 (R)-2-[(2S,3S)-3-{4-[5-(4-Benzyloxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL367988 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141891&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516278 104031344 CHEMBL367988 ZINC28093214 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260836 CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C34H42F4N4O3/c1-4-42-31(18-28(39-42)16-23-8-10-29(11-9-23)45-34(36,37)38)24-12-14-40(15-13-24)19-26-20-41(32(22(2)3)33(43)44)21-30(26)25-6-5-7-27(35)17-25/h5-11,17-18,22,24,26,30,32H,4,12-16,19-21H2,1-3H3,(H,43,44)/t26-,30+,32+/m0/s1 ZBCNRLKCRTZWSZ-NNYJQHGCSA-N 50141892 2-[3-{4-[2-Ethyl-5-(4-trifluoromethoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL172013 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141892&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516197 104031345 CHEMBL172013 ZINC28017739 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260837 CCn1nc(Cc2ccc(cc2)S(=O)(=O)c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C39H47FN4O4S/c1-4-44-37(23-33(41-44)21-28-13-15-35(16-14-28)49(47,48)34-11-6-5-7-12-34)29-17-19-42(20-18-29)24-31-25-43(38(27(2)3)39(45)46)26-36(31)30-9-8-10-32(40)22-30/h5-16,22-23,27,29,31,36,38H,4,17-21,24-26H2,1-3H3,(H,45,46)/t31-,36+,38+/m0/s1 ARFHIUFTOLCGFS-XXSKFNENSA-N 50141894 (R)-2-[(2S,3S)-3-{4-[5-(4-Benzenesulfonyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL177156 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141894&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516187 104031347 CHEMBL177156 ZINC28022938 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260838 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H45F3N4O3/c1-4-23(3)33(34(43)44)41-21-27(31(22-41)26-7-6-8-28(36)18-26)20-40-15-13-25(14-16-40)32-19-29(39-42(32)5-2)17-24-9-11-30(12-10-24)45-35(37)38/h6-12,18-19,23,25,27,31,33,35H,4-5,13-17,20-22H2,1-3H3,(H,43,44)/t23-,27-,31+,33+/m0/s1 KXTISGVXSYBLGP-MQMFKJKRSA-N 50141893 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Difluoromethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL177127 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141893&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516224 104031346 CHEMBL177127 ZINC28088257 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260839 CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)cc1 InChI=1S/C37H51FN4O3/c1-6-19-45-32-13-11-26(12-14-32)20-31-22-34(42(7-2)39-31)27-15-17-40(18-16-27)23-29-24-41(35(36(43)44)37(3,4)5)25-33(29)28-9-8-10-30(38)21-28/h8-14,21-22,27,29,33,35H,6-7,15-20,23-25H2,1-5H3,(H,43,44)/t29-,33+,35-/m0/s1 ZTXBUYCSHALQDM-AUFCLJJTSA-N 50141895 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-propoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL355809 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141895&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516272 104031348 CHEMBL355809 ZINC28087201 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260840 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc(NC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H48FN5O2/c1-5-24(3)34(35(42)43)40-22-28(32(23-40)27-10-8-11-29(36)19-27)21-39-15-13-26(14-16-39)33-20-31(38-41(33)6-2)18-25-9-7-12-30(17-25)37-4/h7-12,17,19-20,24,26,28,32,34,37H,5-6,13-16,18,21-23H2,1-4H3,(H,42,43)/t24-,28-,32+,34+/m0/s1 DOPPOXSLOURTSB-FZKFUBHISA-N 50141898 (2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(3-methylamino-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL367897 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141898&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384782 104031351 CHEMBL367897 ZINC28014575 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260842 CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H42F2N4O2/c1-4-39-31(18-28(36-39)17-25-8-5-6-11-30(25)35)23-12-14-37(15-13-23)19-26-20-38(32(22(2)3)33(40)41)21-29(26)24-9-7-10-27(34)16-24/h5-11,16,18,22-23,26,29,32H,4,12-15,17,19-21H2,1-3H3,(H,40,41)/t26-,29+,32+/m0/s1 PQERIGBWDFXHHY-MRPJDYLLSA-N 50141897 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(2-fluoro-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL367529 C-C chemokine receptor type 5 2.2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141897&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516177 104031350 CHEMBL367529 ZINC28086970 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260843 CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C4CCCCC4)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C38H51FN4O3/c1-3-43-36(23-33(40-43)21-27-13-15-34(16-14-27)46-4-2)28-17-19-41(20-18-28)24-31-25-42(26-35(31)30-11-8-12-32(39)22-30)37(38(44)45)29-9-6-5-7-10-29/h8,11-16,22-23,28-29,31,35,37H,3-7,9-10,17-21,24-26H2,1-2H3,(H,44,45)/t31-,35+,37+/m0/s1 BLLRESRTLSJGCS-FCWLVIOWSA-N 50141899 (R)-Cyclohexyl-[(2S,3S)-3-{4-[5-(4-ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL172079 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141899&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516307 104031352 CHEMBL172079 ZINC28020932 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260844 CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C(C)C)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C37H51FN4O3/c1-5-7-19-45-33-13-11-27(12-14-33)20-32-22-35(42(6-2)39-32)28-15-17-40(18-16-28)23-30-24-41(36(26(3)4)37(43)44)25-34(30)29-9-8-10-31(38)21-29/h8-14,21-22,26,28,30,34,36H,5-7,15-20,23-25H2,1-4H3,(H,43,44)/t30-,34+,36+/m0/s1 XLIWORCNUUZJJY-LOZBNSEJSA-N 50141900 (R)-2-[(2S,3S)-3-{4-[5-(4-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL173583 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141900&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516192 104031353 CHEMBL173583 ZINC28095088 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260845 CCn1nc(Cc2ccc(cc2)S(=O)(=O)c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C40H49FN4O4S/c1-5-45-37(24-33(42-45)22-28-14-16-35(17-15-28)50(48,49)34-12-7-6-8-13-34)29-18-20-43(21-19-29)25-31-26-44(38(39(46)47)40(2,3)4)27-36(31)30-10-9-11-32(41)23-30/h6-17,23-24,29,31,36,38H,5,18-22,25-27H2,1-4H3,(H,46,47)/t31-,36+,38-/m0/s1 GVWWVDUMZPBPEO-MKJJNCKNSA-N 50141901 (R)-2-[(2S,3S)-3-{4-[5-(4-Benzenesulfonyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL367916 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141901&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516267 104031354 CHEMBL367916 ZINC28100405 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260846 CCn1nc(Cc2ccc3ccccc3c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C38H47FN4O2/c1-5-43-35(22-33(40-43)20-26-13-14-27-9-6-7-10-29(27)19-26)28-15-17-41(18-16-28)23-31-24-42(36(37(44)45)38(2,3)4)25-34(31)30-11-8-12-32(39)21-30/h6-14,19,21-22,28,31,34,36H,5,15-18,20,23-25H2,1-4H3,(H,44,45)/t31-,34+,36-/m0/s1 CHOHDRRBJZPQIH-URSHZUDISA-N 50141904 (R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-2-ylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL369235 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141904&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516289 104031357 CHEMBL369235 ZINC28020322 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260848 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H43FN4O2/c1-4-38-31(19-29(35-38)17-24-9-6-5-7-10-24)25-13-15-36(16-14-25)20-27-21-37(32(23(2)3)33(39)40)22-30(27)26-11-8-12-28(34)18-26/h5-12,18-19,23,25,27,30,32H,4,13-17,20-22H2,1-3H3,(H,39,40)/t27-,30+,32+/m0/s1 QTGSINBFNYAXSI-HYRLGQOJSA-N 50141883 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-methylbutanoic acid::(R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL174304 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141883&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516173 104031336 CHEMBL174304 ZINC28012470 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260851 CCn1nc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C36H43F7N4O2/c1-5-47-31(18-29(44-47)15-22-13-26(35(38,39)40)17-27(14-22)36(41,42)43)23-9-11-45(12-10-23)19-25-20-46(32(33(48)49)34(2,3)4)21-30(25)24-7-6-8-28(37)16-24/h6-8,13-14,16-18,23,25,30,32H,5,9-12,15,19-21H2,1-4H3,(H,48,49)/t25-,30+,32-/m0/s1 VIENJCFWEDWDHW-RMRIFHTGSA-N 50141903 (R)-2-[(2S,3S)-3-{4-[5-(3,5-Bis-trifluoromethyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL176859 C-C chemokine receptor type 5 2.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141903&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516263 104031356 CHEMBL176859 ZINC28020524 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260854 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CCC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H51FN4O3/c1-4-26(3)37(38(44)45)42-24-30(35(25-42)29-8-6-9-31(39)21-29)23-41-18-16-28(17-19-41)36-22-32(40-43(36)5-2)20-27-12-14-34(15-13-27)46-33-10-7-11-33/h6,8-9,12-15,21-22,26,28,30,33,35,37H,4-5,7,10-11,16-20,23-25H2,1-3H3,(H,44,45)/t26-,30-,35+,37+/m0/s1 ICFBKVPIXDVRSY-VZQWUQQYSA-N 50141906 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Cyclobutoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL176571 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141906&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516217 104031359 CHEMBL176571 ZINC28087974 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260855 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C(C)(C)C)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H53FN4O2/c1-7-26(3)36(37(44)45)42-24-30(34(25-42)29-10-9-11-32(39)21-29)23-41-18-16-28(17-19-41)35-22-33(40-43(35)8-2)20-27-12-14-31(15-13-27)38(4,5)6/h9-15,21-22,26,28,30,34,36H,7-8,16-20,23-25H2,1-6H3,(H,44,45)/t26-,30+,34-,36-/m1/s1 FSHOMAHJUYDWJR-PTTLIBFYSA-N 50141907 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-tert-Butyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL366742 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141907&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516258 104031360 CHEMBL366742 ZINC28021454 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260856 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H47FN4O2/c1-2-41-34(22-32(38-41)20-26-10-5-3-6-11-26)27-16-18-39(19-17-27)23-30-24-40(25-33(30)29-14-9-15-31(37)21-29)35(36(42)43)28-12-7-4-8-13-28/h3,5-6,9-11,14-15,21-22,27-28,30,33,35H,2,4,7-8,12-13,16-20,23-25H2,1H3,(H,42,43)/t30-,33+,35+/m0/s1 NGQNBQOIRABSGM-KZDQMGDASA-N 50141879 (R)-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL353330::[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141879&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516294 104031332 CHEMBL353330 ZINC28015152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260857 CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C34H45FN4O3/c1-5-39-32(19-29(36-39)17-24-9-11-30(42-4)12-10-24)25-13-15-37(16-14-25)20-27-21-38(33(23(2)3)34(40)41)22-31(27)26-7-6-8-28(35)18-26/h6-12,18-19,23,25,27,31,33H,5,13-17,20-22H2,1-4H3,(H,40,41)/t27-,31+,33+/m0/s1 DMUHIPIQOMSLKE-TUTZNEALSA-N 50141909 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-methoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL352511 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141909&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516189 104031362 CHEMBL352511 ZINC28008043 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260858 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C(C)C)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C37H51FN4O2/c1-6-26(5)36(37(43)44)41-23-31(34(24-41)30-9-8-10-32(38)20-30)22-40-17-15-29(16-18-40)35-21-33(39-42(35)7-2)19-27-11-13-28(14-12-27)25(3)4/h8-14,20-21,25-26,29,31,34,36H,6-7,15-19,22-24H2,1-5H3,(H,43,44)/t26-,31-,34+,36+/m0/s1 SESNYPNPIJXNNP-DSYZROQBSA-N 50141910 (2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-isopropyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL366868 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141910&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516233 104031363 CHEMBL366868 ZINC28016364 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260859 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C37H49FN4O3/c1-4-25(3)36(37(43)44)41-23-29(34(24-41)28-7-6-8-30(38)20-28)22-40-17-15-27(16-18-40)35-21-31(39-42(35)5-2)19-26-9-11-32(12-10-26)45-33-13-14-33/h6-12,20-21,25,27,29,33-34,36H,4-5,13-19,22-24H2,1-3H3,(H,43,44)/t25-,29-,34+,36+/m0/s1 DYYAUPMKHPMGJX-SQSKQFLFSA-N 50141912 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Cyclopropoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL369059 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141912&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516216 104031365 CHEMBL369059 ZINC28015679 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260861 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(C)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H47FN4O2/c1-5-25(4)34(35(41)42)39-22-29(32(23-39)28-8-7-9-30(36)19-28)21-38-16-14-27(15-17-38)33-20-31(37-40(33)6-2)18-26-12-10-24(3)11-13-26/h7-13,19-20,25,27,29,32,34H,5-6,14-18,21-23H2,1-4H3,(H,41,42)/t25-,29-,32+,34+/m0/s1 RAYOIOHGOVQFJQ-XQJICNLXSA-N 50141915 (2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-methyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL435472 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141915&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516232 104031368 CHEMBL435472 ZINC28016766 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260864 CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H47FN4O3/c1-6-40-32(20-29(37-40)18-24-10-12-30(43-5)13-11-24)25-14-16-38(17-15-25)21-27-22-39(33(34(41)42)35(2,3)4)23-31(27)26-8-7-9-28(36)19-26/h7-13,19-20,25,27,31,33H,6,14-18,21-23H2,1-5H3,(H,41,42)/t27-,31+,33-/m0/s1 WUOVQUPKHAFCDO-QOCRQHEPSA-N 50141916 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-methoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL368823 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141916&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516268 104031369 CHEMBL368823 ZINC28016384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260865 CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H45F3N4O3/c1-5-42-31(19-28(39-42)17-23-9-11-29(12-10-23)45-34(37)38)24-13-15-40(16-14-24)20-26-21-41(32(33(43)44)35(2,3)4)22-30(26)25-7-6-8-27(36)18-25/h6-12,18-19,24,26,30,32,34H,5,13-17,20-22H2,1-4H3,(H,43,44)/t26-,30+,32-/m0/s1 DYCREHHMIKZXHW-LEFKNYOOSA-N 50141917 (R)-2-[(2S,3S)-3-{4-[5-(4-Difluoromethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL174996 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141917&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516282 104031370 CHEMBL174996 ZINC28023071 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260866 CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H49FN4O3/c1-3-42-35(22-32(39-42)20-26-12-14-33(45-2)15-13-26)27-16-18-40(19-17-27)23-30-24-41(25-34(30)29-10-7-11-31(38)21-29)36(37(43)44)28-8-5-4-6-9-28/h7,10-15,21-22,27-28,30,34,36H,3-6,8-9,16-20,23-25H2,1-2H3,(H,43,44)/t30-,34+,36+/m0/s1 VPOHYCVKCIUOIJ-LOZBNSEJSA-N 50141918 (R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-methoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL369632 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141918&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516306 104031371 CHEMBL369632 ZINC28093863 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260867 CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H41F3N4O2/c1-4-40-31(17-29(37-40)14-22-12-27(35)16-28(36)13-22)23-8-10-38(11-9-23)18-25-19-39(32(21(2)3)33(41)42)20-30(25)24-6-5-7-26(34)15-24/h5-7,12-13,15-17,21,23,25,30,32H,4,8-11,14,18-20H2,1-3H3,(H,41,42)/t25-,30+,32+/m0/s1 VXMVWENUTABJOM-YAFDPGIASA-N 50141919 (R)-2-[(2S,3S)-3-{4-[5-(3,5-Difluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL368333 C-C chemokine receptor type 5 2.6 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141919&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516179 104031372 CHEMBL368333 ZINC28019284 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260868 CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C40H49FN4O3/c1-5-45-37(24-33(42-45)22-28-14-16-35(17-15-28)48-34-12-7-6-8-13-34)29-18-20-43(21-19-29)25-31-26-44(38(39(46)47)40(2,3)4)27-36(31)30-10-9-11-32(41)23-30/h6-17,23-24,29,31,36,38H,5,18-22,25-27H2,1-4H3,(H,46,47)/t31-,36+,38-/m0/s1 VZEOWSJFLSQSHL-MKJJNCKNSA-N 50141923 2-[3-{4-[2-Ethyl-5-(4-phenoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL262402 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141923&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516279 104031376 CHEMBL262402 ZINC28020493 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260869 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C40H49FN4O4S/c1-4-28(3)39(40(46)47)44-26-32(37(27-44)31-10-9-11-33(41)23-31)25-43-20-18-30(19-21-43)38-24-34(42-45(38)5-2)22-29-14-16-36(17-15-29)50(48,49)35-12-7-6-8-13-35/h6-17,23-24,28,30,32,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,32-,37+,39+/m0/s1 MLKJWAJODRUMOO-CRJIABDTSA-N 50141920 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Benzenesulfonyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL368467 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141920&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516209 104031373 CHEMBL368467 ZINC28095094 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260870 CCn1nc(Cc2ccc(cc2)C(F)(F)F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C34H42F4N4O2/c1-4-42-31(18-29(39-42)16-23-8-10-27(11-9-23)34(36,37)38)24-12-14-40(15-13-24)19-26-20-41(32(22(2)3)33(43)44)21-30(26)25-6-5-7-28(35)17-25/h5-11,17-18,22,24,26,30,32H,4,12-16,19-21H2,1-3H3,(H,43,44)/t26-,30+,32+/m0/s1 GXTJLZJFVRBENE-NNYJQHGCSA-N 50141921 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-trifluoromethyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL172019 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141921&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516182 104031374 CHEMBL172019 ZINC28017196 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260871 CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C36H47FN4O3/c1-4-41-34(20-30(38-41)18-25-8-10-31(11-9-25)44-32-12-13-32)26-14-16-39(17-15-26)21-28-22-40(35(24(2)3)36(42)43)23-33(28)27-6-5-7-29(37)19-27/h5-11,19-20,24,26,28,32-33,35H,4,12-18,21-23H2,1-3H3,(H,42,43)/t28-,33+,35+/m0/s1 JLVJXUOOJFCQIH-GCFSYYHISA-N 50141924 (R)-2-[(2S,3S)-3-{4-[5-(4-Cyclopropoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL176337 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141924&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516193 104031377 CHEMBL176337 ZINC28019387 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260872 CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C39H47FN4O2/c1-4-44-37(23-35(41-44)21-28-13-15-30(16-14-28)29-9-6-5-7-10-29)31-17-19-42(20-18-31)24-33-25-43(38(27(2)3)39(45)46)26-36(33)32-11-8-12-34(40)22-32/h5-16,22-23,27,31,33,36,38H,4,17-21,24-26H2,1-3H3,(H,45,46)/t33-,36+,38+/m0/s1 FQDAIOFBLYFMHL-DCLZWXHWSA-N 50141925 (R)-2-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL367987 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141925&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516202 104031378 CHEMBL367987 ZINC28093198 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260873 CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@@H](C)CC)C(O)=O)CC3)n(CC)n2)c1 InChI=1S/C36H49FN4O3/c1-5-25(4)35(36(42)43)40-23-29(33(24-40)28-11-9-12-30(37)20-28)22-39-16-14-27(15-17-39)34-21-31(38-41(34)6-2)18-26-10-8-13-32(19-26)44-7-3/h8-13,19-21,25,27,29,33,35H,5-7,14-18,22-24H2,1-4H3,(H,42,43)/t25-,29-,33+,35+/m0/s1 RGIPYCSQKBJEOA-KJCODNFBSA-N 50141922 (2R,4S)-2-[(2S,3S)-3-{4-[5-(3-Ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL367102 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141922&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516213 104031375 CHEMBL367102 ZINC28092382 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260875 CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H42F2N4O2/c1-4-39-31(18-29(36-39)16-23-8-10-27(34)11-9-23)24-12-14-37(15-13-24)19-26-20-38(32(22(2)3)33(40)41)21-30(26)25-6-5-7-28(35)17-25/h5-11,17-18,22,24,26,30,32H,4,12-16,19-21H2,1-3H3,(H,40,41)/t26-,30+,32+/m0/s1 ODVDBGHVIJLFQG-NNYJQHGCSA-N 50141928 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-fluoro-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL170829 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141928&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516175 104031381 CHEMBL170829 ZINC28008039 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260876 CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H46F2N4O2/c1-2-42-34(21-32(39-42)19-25-8-6-12-30(37)18-25)26-14-16-40(17-15-26)22-29-23-41(24-33(29)28-11-7-13-31(38)20-28)35(36(43)44)27-9-4-3-5-10-27/h6-8,11-13,18,20-21,26-27,29,33,35H,2-5,9-10,14-17,19,22-24H2,1H3,(H,43,44)/t29-,33+,35+/m0/s1 YJMCMZGIYUMSRA-HMQVCXRFSA-N 50141929 (R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(3-fluoro-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL177205 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141929&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516296 104031382 CHEMBL177205 ZINC28086976 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260878 CCn1nc(Cc2cccc(c2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C34H42FN5O2/c1-4-40-32(18-30(37-40)16-24-7-5-8-25(15-24)19-36)26-11-13-38(14-12-26)20-28-21-39(33(23(2)3)34(41)42)22-31(28)27-9-6-10-29(35)17-27/h5-10,15,17-18,23,26,28,31,33H,4,11-14,16,20-22H2,1-3H3,(H,41,42)/t28-,31+,33+/m0/s1 WWLFYENFGVFYOB-HTGHOQDLSA-N 50141926 (R)-2-[(2S,3S)-3-{4-[5-(3-Cyano-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL366400 C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141926&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516185 104031379 CHEMBL366400 ZINC28013327 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260879 CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C37H51FN4O3/c1-7-42-34(21-31(39-42)19-26-11-13-32(14-12-26)45-37(4,5)6)27-15-17-40(18-16-27)22-29-23-41(35(25(2)3)36(43)44)24-33(29)28-9-8-10-30(38)20-28/h8-14,20-21,25,27,29,33,35H,7,15-19,22-24H2,1-6H3,(H,43,44)/t29-,33+,35+/m0/s1 NUGQFYBHPBBTJL-HMQVCXRFSA-N 50141927 (R)-2-[(2S,3S)-3-{4-[5-(4-tert-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL177204 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141927&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516195 104031380 CHEMBL177204 ZINC28086869 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260880 CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C34H45FN4O3/c1-5-39-31(19-28(36-39)17-23-9-11-29(40)12-10-23)24-13-15-37(16-14-24)20-26-21-38(32(33(41)42)34(2,3)4)22-30(26)25-7-6-8-27(35)18-25/h6-12,18-19,24,26,30,32,40H,5,13-17,20-22H2,1-4H3,(H,41,42)/t26-,30+,32-/m0/s1 DWPMZRNGNHVNJD-LEFKNYOOSA-N 50141930 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-hydroxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL173019 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141930&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516283 104031383 CHEMBL173019 ZINC28015026 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260881 CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C42H51FN4O2/c1-2-47-40(26-38(44-47)24-30-16-18-32(19-17-30)31-10-5-3-6-11-31)33-20-22-45(23-21-33)27-36-28-46(29-39(36)35-14-9-15-37(43)25-35)41(42(48)49)34-12-7-4-8-13-34/h3,5-6,9-11,14-19,25-26,33-34,36,39,41H,2,4,7-8,12-13,20-24,27-29H2,1H3,(H,48,49)/t36-,39+,41+/m0/s1 SXKNFGNGCSTXQU-HBBZNRFGSA-N 50141931 (R)-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL368329 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516314 104031384 CHEMBL368329 ZINC28018261 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260882 CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C40H49FN4O2/c1-5-45-37(24-35(42-45)22-28-14-16-30(17-15-28)29-10-7-6-8-11-29)31-18-20-43(21-19-31)25-33-26-44(38(39(46)47)40(2,3)4)27-36(33)32-12-9-13-34(41)23-32/h6-17,23-24,31,33,36,38H,5,18-22,25-27H2,1-4H3,(H,46,47)/t33-,36+,38-/m0/s1 IZOGIEBLWOHFCN-QYGIXFTLSA-N 50141905 (R)-2-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL172296 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141905&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516293 104031358 CHEMBL172296 ZINC28014301 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260883 CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H49FN4O2/c1-4-38-31(19-29(35-38)17-24-9-6-5-7-10-24)25-13-15-36(16-14-25)20-27-21-37(32(23(2)3)33(39)40)22-30(27)26-11-8-12-28(34)18-26/h8,11-12,18-19,23-25,27,30,32H,4-7,9-10,13-17,20-22H2,1-3H3,(H,39,40)/t27-,30+,32+/m0/s1 RODLAWWELODJBV-HYRLGQOJSA-N 50141932 (R)-2-[(2S,3S)-3-[4-(5-Cyclohexylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL369151 C-C chemokine receptor type 5 2.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141932&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516174 104031385 CHEMBL369151 ZINC28013621 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260884 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H45F3N4O3/c1-4-23(3)33(34(43)44)41-21-27(31(22-41)26-7-6-8-28(36)18-26)20-40-15-13-25(14-16-40)32-19-29(39-42(32)5-2)17-24-9-11-30(12-10-24)45-35(37)38/h6-12,18-19,23,25,27,31,33,35H,4-5,13-17,20-22H2,1-3H3,(H,43,44)/t23-,27+,31-,33-/m1/s1 KXTISGVXSYBLGP-KLTPPHAJSA-N 50141933 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Difluoromethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL367560 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141933&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516252 104031386 CHEMBL367560 ZINC28101908 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260886 CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C38H53FN4O3/c1-5-8-20-46-34-14-12-28(13-15-34)21-33-23-36(43(7-3)40-33)29-16-18-41(19-17-29)24-31-25-42(37(38(44)45)27(4)6-2)26-35(31)30-10-9-11-32(39)22-30/h9-15,22-23,27,29,31,35,37H,5-8,16-21,24-26H2,1-4H3,(H,44,45)/t27-,31+,35-,37-/m1/s1 DKLYXIOKIUWOPO-OQJGNAAVSA-N 50141936 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL177168 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516244 104031389 CHEMBL177168 ZINC28021870 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260887 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1 MXCQYIXLBGSZRW-LWKLBADKSA-N 50141856 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353331::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141856&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516172 104031309 CHEMBL353331 ZINC28015158 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260888 CCn1nc(Cc2ccc(C)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H47FN4O2/c1-6-40-32(20-30(37-40)18-25-12-10-24(2)11-13-25)26-14-16-38(17-15-26)21-28-22-39(33(34(41)42)35(3,4)5)23-31(28)27-8-7-9-29(36)19-27/h7-13,19-20,26,28,31,33H,6,14-18,21-23H2,1-5H3,(H,41,42)/t28-,31+,33-/m0/s1 GNLVMLODDVHEOL-HQRWHSCBSA-N 50141934 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-methyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL369494 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516290 104031387 CHEMBL369494 ZINC28016359 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260889 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc4ccccc4c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H47FN4O2/c1-4-26(3)37(38(44)45)42-24-32(35(25-42)31-11-8-12-33(39)21-31)23-41-17-15-29(16-18-41)36-22-34(40-43(36)5-2)20-27-13-14-28-9-6-7-10-30(28)19-27/h6-14,19,21-22,26,29,32,35,37H,4-5,15-18,20,23-25H2,1-3H3,(H,44,45)/t26-,32+,35-,37-/m1/s1 DKYYISTXVPXPTC-JKULCMLZSA-N 50141937 (2R,4R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-2-ylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL173400 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141937&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516257 104031390 CHEMBL173400 ZINC28020332 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260890 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc4ccccc4c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H47FN4O2/c1-4-26(3)37(38(44)45)42-24-32(35(25-42)31-11-8-12-33(39)21-31)23-41-17-15-29(16-18-41)36-22-34(40-43(36)5-2)20-27-13-14-28-9-6-7-10-30(28)19-27/h6-14,19,21-22,26,29,32,35,37H,4-5,15-18,20,23-25H2,1-3H3,(H,44,45)/t26-,32-,35+,37+/m0/s1 DKYYISTXVPXPTC-NBNUSJIVSA-N 50141939 (2R,4S)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-2-ylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL172894 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516231 104031392 CHEMBL172894 ZINC28014275 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260891 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(Oc4ccccc4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C40H49FN4O3/c1-4-28(3)39(40(46)47)44-26-32(37(27-44)31-10-9-11-33(41)23-31)25-43-20-18-30(19-21-43)38-24-34(42-45(38)5-2)22-29-14-16-36(17-15-29)48-35-12-7-6-8-13-35/h6-17,23-24,28,30,32,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,32+,37-,39-/m1/s1 KXMSNVZBMZCZNF-RFUUAGDRSA-N 50141938 (2R,4R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-phenoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL369593 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141938&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516249 104031391 CHEMBL369593 ZINC28007098 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260894 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CCC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H51FN4O3/c1-4-26(3)37(38(44)45)42-24-30(35(25-42)29-8-6-9-31(39)21-29)23-41-18-16-28(17-19-41)36-22-32(40-43(36)5-2)20-27-12-14-34(15-13-27)46-33-10-7-11-33/h6,8-9,12-15,21-22,26,28,30,33,35,37H,4-5,7,10-11,16-20,23-25H2,1-3H3,(H,44,45)/t26-,30+,35-,37-/m1/s1 ICFBKVPIXDVRSY-YJCNYCIJSA-N 50141935 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Cyclobutoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL176459 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516246 104031388 CHEMBL176459 ZINC28087967 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260897 CCn1nc(Cc2ccc(cc2)S(=O)(=O)c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C42H51FN4O4S/c1-2-47-40(26-36(44-47)24-30-16-18-38(19-17-30)52(50,51)37-14-7-4-8-15-37)31-20-22-45(23-21-31)27-34-28-46(29-39(34)33-12-9-13-35(43)25-33)41(42(48)49)32-10-5-3-6-11-32/h4,7-9,12-19,25-26,31-32,34,39,41H,2-3,5-6,10-11,20-24,27-29H2,1H3,(H,48,49)/t34-,39+,41+/m0/s1 RYJRZGRSMBZHTK-NXLXXTAESA-N 50141950 (R)-[(2S,3S)-3-{4-[5-(4-Benzenesulfonyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL354413 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141950&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516304 104031403 CHEMBL354413 ZINC28092321 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260898 CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C38H51FN4O3/c1-5-43-35(22-31(40-43)20-26-12-14-33(15-13-26)46-32-10-7-11-32)27-16-18-41(19-17-27)23-29-24-42(36(37(44)45)38(2,3)4)25-34(29)28-8-6-9-30(39)21-28/h6,8-9,12-15,21-22,27,29,32,34,36H,5,7,10-11,16-20,23-25H2,1-4H3,(H,44,45)/t29-,34+,36-/m0/s1 OTAQHXMWYBKCMQ-FAQYSXNFSA-N 50141951 (R)-2-[(2S,3S)-3-{4-[5-(4-Cyclobutoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL177033 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141951&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516275 104031404 CHEMBL177033 ZINC28086017 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260899 CCn1nc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C35H41F7N4O2/c1-4-46-31(17-29(43-46)14-22-12-26(34(37,38)39)16-27(13-22)35(40,41)42)23-8-10-44(11-9-23)18-25-19-45(32(21(2)3)33(47)48)20-30(25)24-6-5-7-28(36)15-24/h5-7,12-13,15-17,21,23,25,30,32H,4,8-11,14,18-20H2,1-3H3,(H,47,48)/t25-,30+,32+/m0/s1 GLLOSAKUXNYYDK-YAFDPGIASA-N 50141952 (R)-2-[(2S,3S)-3-{4-[5-(3,5-Bis-trifluoromethyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL367901 C-C chemokine receptor type 5 3.2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141952&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516183 104031405 CHEMBL367901 ZINC28094316 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260900 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(O)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C34H45FN4O3/c1-4-23(3)33(34(41)42)38-21-27(31(22-38)26-7-6-8-28(35)18-26)20-37-15-13-25(14-16-37)32-19-29(36-39(32)5-2)17-24-9-11-30(40)12-10-24/h6-12,18-19,23,25,27,31,33,40H,4-5,13-17,20-22H2,1-3H3,(H,41,42)/t23-,27-,31+,33+/m0/s1 AYQPUUZHDGKDRB-MQMFKJKRSA-N 50141949 (2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-hydroxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL368375 C-C chemokine receptor type 5 1.4 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141949&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516225 104031402 CHEMBL368375 ZINC28092094 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260901 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc4ccccc34)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H47FN4O2/c1-4-26(3)37(38(44)45)42-24-31(35(25-42)29-13-9-14-32(39)20-29)23-41-18-16-28(17-19-41)36-22-33(40-43(36)5-2)21-30-12-8-11-27-10-6-7-15-34(27)30/h6-15,20,22,26,28,31,35,37H,4-5,16-19,21,23-25H2,1-3H3,(H,44,45)/t26-,31+,35-,37-/m1/s1 JMOOJQQUXGNGBN-ZJYLSAKPSA-N 50141946 (2R,4R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-1-ylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL366770 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141946&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516256 104031399 CHEMBL366770 ZINC28100447 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260902 CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C38H53FN4O3/c1-8-43-34(22-31(40-43)20-26-12-14-32(15-13-26)46-38(5,6)7)27-16-18-41(19-17-27)23-29-24-42(35(36(44)45)37(2,3)4)25-33(29)28-10-9-11-30(39)21-28/h9-15,21-22,27,29,33,35H,8,16-20,23-25H2,1-7H3,(H,44,45)/t29-,33+,35-/m0/s1 CYOVZSWTZMONDR-AUFCLJJTSA-N 50141947 (R)-2-[(2S,3S)-3-{4-[5-(4-tert-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL368979 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141947&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516277 104031400 CHEMBL368979 ZINC28022019 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260903 CCn1nc(Cc2cccc3ccccc23)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C38H47FN4O2/c1-5-43-35(22-32(40-43)21-29-12-8-11-26-10-6-7-15-33(26)29)27-16-18-41(19-17-27)23-30-24-42(36(37(44)45)38(2,3)4)25-34(30)28-13-9-14-31(39)20-28/h6-15,20,22,27,30,34,36H,5,16-19,21,23-25H2,1-4H3,(H,44,45)/t30-,34+,36-/m0/s1 WAFABTWJGIOLMS-JYIZODLMSA-N 50141948 (R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-1-ylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL174927 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141948&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516288 104031401 CHEMBL174927 ZINC28092389 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260904 CCn1nc(Cc2ccc(OC)c(c2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C36H46FN5O3/c1-6-42-32(19-30(39-42)17-24-10-11-33(45-5)27(16-24)20-38)25-12-14-40(15-13-25)21-28-22-41(34(35(43)44)36(2,3)4)23-31(28)26-8-7-9-29(37)18-26/h7-11,16,18-19,25,28,31,34H,6,12-15,17,21-23H2,1-5H3,(H,43,44)/t28-,31+,34-/m0/s1 VWCSGFVUTGZUSN-HWCFGDHISA-N 50141943 (R)-2-[(2S,3S)-3-{4-[5-(3-Cyano-4-methoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL174904 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141943&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516286 104031396 CHEMBL174904 ZINC28097202 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260905 CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C36H49FN4O3/c1-5-25(4)35(36(42)43)40-23-29(33(24-40)28-9-8-10-30(37)20-28)22-39-17-15-27(16-18-39)34-21-31(38-41(34)6-2)19-26-11-13-32(14-12-26)44-7-3/h8-14,20-21,25,27,29,33,35H,5-7,15-19,22-24H2,1-4H3,(H,42,43)/t25-,29-,33+,35+/m0/s1 VWVXJUWUORALDD-KJCODNFBSA-N 50141945 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL367700 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141945&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516212 104031398 CHEMBL367700 ZINC28015385 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260906 CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C(C)C)C(O)=O)CC3)n(CC)n2)cc1F InChI=1S/C35H46F2N4O3/c1-5-41-32(19-29(38-41)16-24-10-11-33(44-6-2)31(37)17-24)25-12-14-39(15-13-25)20-27-21-40(34(23(3)4)35(42)43)22-30(27)26-8-7-9-28(36)18-26/h7-11,17-19,23,25,27,30,34H,5-6,12-16,20-22H2,1-4H3,(H,42,43)/t27-,30+,34+/m0/s1 AZCPMEMQWSWETI-PEMZAYNASA-N 50141944 (R)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-3-fluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL175348 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141944&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516201 104031397 CHEMBL175348 ZINC28096648 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260907 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC4CC4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C37H49FN4O3/c1-4-25(3)36(37(43)44)41-23-29(34(24-41)28-7-6-8-30(38)20-28)22-40-17-15-27(16-18-40)35-21-31(39-42(35)5-2)19-26-9-11-32(12-10-26)45-33-13-14-33/h6-12,20-21,25,27,29,33-34,36H,4-5,13-19,22-24H2,1-3H3,(H,43,44)/t25-,29+,34-,36-/m1/s1 DYYAUPMKHPMGJX-SCBPGGBZSA-N 50141942 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Cyclopropoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL172916 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141942&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516245 104031395 CHEMBL172916 ZINC28015674 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260908 CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C37H49FN4O3/c1-5-42-34(21-30(39-42)19-25-9-11-31(12-10-25)45-32-13-14-32)26-15-17-40(18-16-26)22-28-23-41(35(36(43)44)37(2,3)4)24-33(28)27-7-6-8-29(38)20-27/h6-12,20-21,26,28,32-33,35H,5,13-19,22-24H2,1-4H3,(H,43,44)/t28-,33+,35-/m0/s1 BQQDYTWNFPNXMT-IDLKRKCPSA-N 50141955 (R)-2-[(2S,3S)-3-{4-[5-(4-Cyclopropoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL366873 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141955&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516274 104031408 CHEMBL366873 ZINC28017564 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260909 CCn1nc(Cc2ccc(cc2)C(F)(F)F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H44F4N4O2/c1-5-43-31(19-29(40-43)17-23-9-11-27(12-10-23)35(37,38)39)24-13-15-41(16-14-24)20-26-21-42(32(33(44)45)34(2,3)4)22-30(26)25-7-6-8-28(36)18-25/h6-12,18-19,24,26,30,32H,5,13-17,20-22H2,1-4H3,(H,44,45)/t26-,30+,32-/m0/s1 TXDOSWQGMXTMBQ-LEFKNYOOSA-N 50141954 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-trifluoromethyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL427493 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141954&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516262 104031407 CHEMBL427493 ZINC28099415 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260910 CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H44F4N4O3/c1-5-43-31(19-28(40-43)17-23-9-11-29(12-10-23)46-35(37,38)39)24-13-15-41(16-14-24)20-26-21-42(32(33(44)45)34(2,3)4)22-30(26)25-7-6-8-27(36)18-25/h6-12,18-19,24,26,30,32H,5,13-17,20-22H2,1-4H3,(H,44,45)/t26-,30+,32-/m0/s1 AWVSZEIDIPLFFV-LEFKNYOOSA-N 50141973 2-[3-{4-[2-Ethyl-5-(4-trifluoromethoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL176426 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141973&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516280 104031426 CHEMBL176426 ZINC28086186 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260912 CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C34H44F2N4O2/c1-5-40-31(19-28(37-40)18-25-9-6-7-12-30(25)36)23-13-15-38(16-14-23)20-26-21-39(32(33(41)42)34(2,3)4)22-29(26)24-10-8-11-27(35)17-24/h6-12,17,19,23,26,29,32H,5,13-16,18,20-22H2,1-4H3,(H,41,42)/t26-,29+,32-/m0/s1 AMEANAGWRYNMDA-SBAONXBNSA-N 50141960 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(2-fluoro-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL177071 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44385583 104031413 CHEMBL177071 ZINC28088919 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260914 CCn1nc(Cc2ccc(OC)c(c2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C35H44FN5O3/c1-5-41-32(18-30(38-41)16-24-9-10-33(44-4)27(15-24)19-37)25-11-13-39(14-12-25)20-28-21-40(34(23(2)3)35(42)43)22-31(28)26-7-6-8-29(36)17-26/h6-10,15,17-18,23,25,28,31,34H,5,11-14,16,20-22H2,1-4H3,(H,42,43)/t28-,31+,34+/m0/s1 RLMKPCDGHIJQNP-LKQHQURMSA-N 50141961 (R)-2-[(2S,3S)-3-{4-[5-(3-Cyano-4-methoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL366492 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516200 104031414 CHEMBL366492 ZINC28016219 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260915 CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C37H49FN4O3/c1-4-42-35(21-31(39-42)19-26-11-13-33(14-12-26)45-32-9-6-10-32)27-15-17-40(18-16-27)22-29-23-41(36(25(2)3)37(43)44)24-34(29)28-7-5-8-30(38)20-28/h5,7-8,11-14,20-21,25,27,29,32,34,36H,4,6,9-10,15-19,22-24H2,1-3H3,(H,43,44)/t29-,34+,36+/m0/s1 VSDOQRBIRZGCHV-HROZJBRQSA-N 50141958 (R)-2-[(2S,3S)-3-{4-[5-(4-Cyclobutoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL173254 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141958&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516194 104031411 CHEMBL173254 ZINC28013481 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260916 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OCC(F)(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C36H46F4N4O3/c1-4-24(3)34(35(45)46)43-21-28(32(22-43)27-7-6-8-29(37)18-27)20-42-15-13-26(14-16-42)33-19-30(41-44(33)5-2)17-25-9-11-31(12-10-25)47-23-36(38,39)40/h6-12,18-19,24,26,28,32,34H,4-5,13-17,20-23H2,1-3H3,(H,45,46)/t24-,28-,32+,34+/m0/s1 BYGHXMKCHHHFAS-FZKFUBHISA-N 50141913 (2R,4S)-2-[(2S,3S)-3-(4-{2-Ethyl-5-[4-(2,2,2-trifluoro-ethoxy)-benzyl]-2H-pyrazol-3-yl}-piperidin-1-ylmethyl)-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL176933 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141913&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516223 104031366 CHEMBL176933 ZINC28088080 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260918 CCn1nc(Cc2ccc(F)c(F)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H41F3N4O2/c1-4-40-31(17-27(37-40)14-22-8-9-29(35)30(36)15-22)23-10-12-38(13-11-23)18-25-19-39(32(21(2)3)33(41)42)20-28(25)24-6-5-7-26(34)16-24/h5-9,15-17,21,23,25,28,32H,4,10-14,18-20H2,1-3H3,(H,41,42)/t25-,28+,32+/m0/s1 KEJUVQKLDUSQJY-AAMSNGAJSA-N 50141956 (R)-2-[(2S,3S)-3-{4-[5-(3,4-Difluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL176391 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516178 104031409 CHEMBL176391 ZINC28087170 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260919 CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)cc1 InChI=1S/C36H49FN4O3/c1-6-41-33(21-30(38-41)19-25-11-13-31(14-12-25)44-7-2)26-15-17-39(18-16-26)22-28-23-40(34(35(42)43)36(3,4)5)24-32(28)27-9-8-10-29(37)20-27/h8-14,20-21,26,28,32,34H,6-7,15-19,22-24H2,1-5H3,(H,42,43)/t28-,32+,34-/m0/s1 IFRLDTPFDARKBP-OKRUAUFTSA-N 50141971 (R)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL176604 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516270 104031424 CHEMBL176604 ZINC28020824 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260921 CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H45F3N4O2/c1-2-43-34(20-31(40-43)18-27-11-12-30(38)19-33(27)39)24-13-15-41(16-14-24)21-28-22-42(23-32(28)26-9-6-10-29(37)17-26)35(36(44)45)25-7-4-3-5-8-25/h6,9-12,17,19-20,24-25,28,32,35H,2-5,7-8,13-16,18,21-23H2,1H3,(H,44,45)/t28-,32+,35+/m0/s1 HLXHQRLDYFRWRZ-OBAPADDSSA-N 50141957 (R)-Cyclohexyl-[(2S,3S)-3-{4-[5-(2,4-difluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL173202 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516299 104031410 CHEMBL173202 ZINC28015684 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260922 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C(F)(F)F)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H44F4N4O2/c1-4-23(3)33(34(44)45)42-21-27(31(22-42)26-7-6-8-29(36)18-26)20-41-15-13-25(14-16-41)32-19-30(40-43(32)5-2)17-24-9-11-28(12-10-24)35(37,38)39/h6-12,18-19,23,25,27,31,33H,4-5,13-17,20-22H2,1-3H3,(H,44,45)/t23-,27+,31-,33-/m1/s1 FAZPCIDHXLZGET-KLTPPHAJSA-N 50141953 (2R,4R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-trifluoromethyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL369478 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516237 104031406 CHEMBL369478 ZINC28099422 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260923 CCn1nc(Cc2ccc(cc2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C34H42FN5O2/c1-4-40-32(18-30(37-40)16-24-8-10-25(19-36)11-9-24)26-12-14-38(15-13-26)20-28-21-39(33(23(2)3)34(41)42)22-31(28)27-6-5-7-29(35)17-27/h5-11,17-18,23,26,28,31,33H,4,12-16,20-22H2,1-3H3,(H,41,42)/t28-,31+,33+/m0/s1 UTVKHQZZUQTDQT-HTGHOQDLSA-N 50141959 (R)-2-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL172004 C-C chemokine receptor type 5 3.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141959&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516184 104031412 CHEMBL172004 ZINC28020497 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260924 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C36H43F7N4O2/c1-4-22(3)33(34(48)49)46-20-26(31(21-46)25-7-6-8-29(37)16-25)19-45-11-9-24(10-12-45)32-18-30(44-47(32)5-2)15-23-13-27(35(38,39)40)17-28(14-23)36(41,42)43/h6-8,13-14,16-18,22,24,26,31,33H,4-5,9-12,15,19-21H2,1-3H3,(H,48,49)/t22-,26-,31+,33+/m0/s1 WSCADJXHCWOAEO-XSKWXTHNSA-N 50141964 (2R,4S)-2-[(2S,3S)-3-{4-[5-(3,5-Bis-trifluoromethyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL172436 C-C chemokine receptor type 5 2.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141964&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516206 104031417 CHEMBL172436 ZINC28013633 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260925 CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)cc1 InChI=1S/C38H53FN4O3/c1-6-8-20-46-33-14-12-27(13-15-33)21-32-23-35(43(7-2)40-32)28-16-18-41(19-17-28)24-30-25-42(36(37(44)45)38(3,4)5)26-34(30)29-10-9-11-31(39)22-29/h9-15,22-23,28,30,34,36H,6-8,16-21,24-26H2,1-5H3,(H,44,45)/t30-,34+,36-/m0/s1 MRFRACBBILXIMQ-JYIZODLMSA-N 50141962 (R)-2-[(2S,3S)-3-{4-[5-(4-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL175424 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141962&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516273 104031415 CHEMBL175424 ZINC28095469 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260926 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(Oc4ccccc4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C40H49FN4O3/c1-4-28(3)39(40(46)47)44-26-32(37(27-44)31-10-9-11-33(41)23-31)25-43-20-18-30(19-21-43)38-24-34(42-45(38)5-2)22-29-14-16-36(17-15-29)48-35-12-7-6-8-13-35/h6-17,23-24,28,30,32,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,32-,37+,39+/m0/s1 KXMSNVZBMZCZNF-CRJIABDTSA-N 50141965 (2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-phenoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL369812 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141965&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516221 104031418 CHEMBL369812 ZINC28007103 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260927 CCn1nc(Cc2ccc(cc2)C(C)C)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C37H51FN4O2/c1-7-42-34(21-32(39-42)19-26-11-13-27(14-12-26)25(2)3)28-15-17-40(18-16-28)22-30-23-41(35(36(43)44)37(4,5)6)24-33(30)29-9-8-10-31(38)20-29/h8-14,20-21,25,28,30,33,35H,7,15-19,22-24H2,1-6H3,(H,43,44)/t30-,33+,35-/m0/s1 ALNIPKRVLOOYCX-LYEZUSGXSA-N 50141968 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-isopropyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL263529 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141968&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516291 104031421 CHEMBL263529 ZINC28022008 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260928 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C34H45FN4O2/c1-5-39-31(20-29(36-39)18-24-10-7-6-8-11-24)25-14-16-37(17-15-25)21-27-22-38(32(33(40)41)34(2,3)4)23-30(27)26-12-9-13-28(35)19-26/h6-13,19-20,25,27,30,32H,5,14-18,21-23H2,1-4H3,(H,40,41)/t27-,30+,32-/m0/s1 IIVZUBFHVGRROU-KUYURNMDSA-N 50141874 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3,3-dimethylbutanoic acid::(R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL172854 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516260 104031327 CHEMBL172854 ZINC28018010 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260929 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OCC(F)(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C36H46F4N4O3/c1-4-24(3)34(35(45)46)43-21-28(32(22-43)27-7-6-8-29(37)18-27)20-42-15-13-26(14-16-42)33-19-30(41-44(33)5-2)17-25-9-11-31(12-10-25)47-23-36(38,39)40/h6-12,18-19,24,26,28,32,34H,4-5,13-17,20-23H2,1-3H3,(H,45,46)/t24-,28+,32-,34-/m1/s1 BYGHXMKCHHHFAS-RKCOTYCJSA-N 50141966 (2R,4R)-2-[(2S,3S)-3-(4-{2-Ethyl-5-[4-(2,2,2-trifluoro-ethoxy)-benzyl]-2H-pyrazol-3-yl}-piperidin-1-ylmethyl)-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL265723 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141966&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516251 104031419 CHEMBL265723 ZINC28087293 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260930 CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1F InChI=1S/C36H48F2N4O3/c1-5-24(4)35(36(43)44)41-22-28(31(23-41)27-9-8-10-29(37)19-27)21-40-15-13-26(14-16-40)33-20-30(39-42(33)6-2)17-25-11-12-34(45-7-3)32(38)18-25/h8-12,18-20,24,26,28,31,35H,5-7,13-17,21-23H2,1-4H3,(H,43,44)/t24-,28+,31-,35-/m1/s1 HBHXAVXLZKWCKM-PBFQYQTBSA-N 50141967 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-3-fluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL176669 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141967&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516255 104031420 CHEMBL176669 ZINC28023049 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260931 CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C4CCCCC4)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C40H55FN4O3/c1-3-5-22-48-36-16-14-29(15-17-36)23-35-25-38(45(4-2)42-35)30-18-20-43(21-19-30)26-33-27-44(28-37(33)32-12-9-13-34(41)24-32)39(40(46)47)31-10-7-6-8-11-31/h9,12-17,24-25,30-31,33,37,39H,3-8,10-11,18-23,26-28H2,1-2H3,(H,46,47)/t33-,37+,39+/m0/s1 UIXOOGQAQVUYHU-FWWQNHDYSA-N 50141970 (R)-[(2S,3S)-3-{4-[5-(4-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL172327 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141970&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516309 104031423 CHEMBL172327 ZINC28017180 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260932 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C34H45FN4O2/c1-4-24(3)33(34(40)41)38-22-28(31(23-38)27-12-9-13-29(35)19-27)21-37-16-14-26(15-17-37)32-20-30(36-39(32)5-2)18-25-10-7-6-8-11-25/h6-13,19-20,24,26,28,31,33H,4-5,14-18,21-23H2,1-3H3,(H,40,41)/t24-,28+,31-,33-/m1/s1 MDTAKMHHAHITNR-FKCWAMBHSA-N 50141881 (2R,3R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL435538 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141881&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516236 104031334 CHEMBL435538 ZINC28017371 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260933 CCn1nc(Cc2ccc(cc2)C(F)(F)F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H46F4N4O2/c1-2-45-34(21-32(42-45)19-25-11-13-30(14-12-25)37(39,40)41)26-15-17-43(18-16-26)22-29-23-44(24-33(29)28-9-6-10-31(38)20-28)35(36(46)47)27-7-4-3-5-8-27/h6,9-14,20-21,26-27,29,33,35H,2-5,7-8,15-19,22-24H2,1H3,(H,46,47)/t29-,33+,35+/m0/s1 QIEIGBFFSMMDGS-HMQVCXRFSA-N 50141969 (R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-trifluoromethyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL366494 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141969&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516301 104031422 CHEMBL366494 ZINC28014160 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260935 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(c3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C36H46FN5O3/c1-5-24(3)35(36(43)44)41-22-29(32(23-41)27-8-7-9-30(37)18-27)21-40-14-12-26(13-15-40)33-19-31(39-42(33)6-2)17-25-10-11-34(45-4)28(16-25)20-38/h7-11,16,18-19,24,26,29,32,35H,5-6,12-15,17,21-23H2,1-4H3,(H,43,44)/t24-,29-,32+,35+/m0/s1 JLQAWCSYGCHXFR-XWHDRLKKSA-N 50141963 (2R,4S)-2-[(2S,3S)-3-{4-[5-(3-Cyano-4-methoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL175079 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141963&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516228 104031416 CHEMBL175079 ZINC28097206 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260938 CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H42F2N4O2/c1-4-39-31(18-29(36-39)16-23-7-5-9-27(34)15-23)24-11-13-37(14-12-24)19-26-20-38(32(22(2)3)33(40)41)21-30(26)25-8-6-10-28(35)17-25/h5-10,15,17-18,22,24,26,30,32H,4,11-14,16,19-21H2,1-3H3,(H,40,41)/t26-,30+,32+/m0/s1 MZQIEEBUCHJUJU-NNYJQHGCSA-N 50141981 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(3-fluoro-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL176850 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141981&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516176 104031434 CHEMBL176850 ZINC28088086 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260939 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C40H49FN4O4S/c1-4-28(3)39(40(46)47)44-26-32(37(27-44)31-10-9-11-33(41)23-31)25-43-20-18-30(19-21-43)38-24-34(42-45(38)5-2)22-29-14-16-36(17-15-29)50(48,49)35-12-7-6-8-13-35/h6-17,23-24,28,30,32,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,32+,37-,39-/m1/s1 MLKJWAJODRUMOO-RFUUAGDRSA-N 50141982 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Benzenesulfonyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL369040 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141982&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516240 104031435 CHEMBL369040 ZINC28096329 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260940 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)-c3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C40H49FN4O2/c1-4-28(3)39(40(46)47)44-26-34(37(27-44)33-12-9-13-35(41)23-33)25-43-20-18-32(19-21-43)38-24-36(42-45(38)5-2)22-29-14-16-31(17-15-29)30-10-7-6-8-11-30/h6-17,23-24,28,32,34,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,34-,37+,39+/m0/s1 CAGZIBHOJDZLGX-WUSDWFAZSA-N 50141978 (2R,4S)-2-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL174004 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516235 104031431 CHEMBL174004 ZINC28097335 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260941 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc(OC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H47FN4O3/c1-5-24(3)34(35(41)42)39-22-28(32(23-39)27-10-8-11-29(36)19-27)21-38-15-13-26(14-16-38)33-20-30(37-40(33)6-2)17-25-9-7-12-31(18-25)43-4/h7-12,18-20,24,26,28,32,34H,5-6,13-17,21-23H2,1-4H3,(H,41,42)/t24-,28-,32+,34+/m0/s1 JPIGMEITTGHWBF-FZKFUBHISA-N 50141977 (2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(3-methoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL435347 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516211 104031430 CHEMBL435347 ZINC28093856 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260942 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(C)(C)C)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H53FN4O3/c1-7-26(3)36(37(44)45)42-24-30(34(25-42)29-10-9-11-31(39)21-29)23-41-18-16-28(17-19-41)35-22-32(40-43(35)8-2)20-27-12-14-33(15-13-27)46-38(4,5)6/h9-15,21-22,26,28,30,34,36H,7-8,16-20,23-25H2,1-6H3,(H,44,45)/t26-,30+,34-,36-/m1/s1 XNRDIULNKXSIMU-PTTLIBFYSA-N 50141941 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-tert-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL366328 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516247 104031394 CHEMBL366328 ZINC28017190 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260943 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(F)(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H44F4N4O3/c1-4-23(3)33(34(44)45)42-21-27(31(22-42)26-7-6-8-28(36)18-26)20-41-15-13-25(14-16-41)32-19-29(40-43(32)5-2)17-24-9-11-30(12-10-24)46-35(37,38)39/h6-12,18-19,23,25,27,31,33H,4-5,13-17,20-22H2,1-3H3,(H,44,45)/t23-,27-,31+,33+/m0/s1 NYXHSNJGOQCTBS-MQMFKJKRSA-N 50141896 2-[3-{4-[2-Ethyl-5-(4-trifluoromethoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL440554 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141896&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516222 104031349 CHEMBL440554 ZINC28016648 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260944 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(OC)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C36H49FN4O4/c1-6-24(3)35(36(42)43)40-22-28(31(23-40)27-9-8-10-29(37)19-27)21-39-15-13-26(14-16-39)32-20-30(38-41(32)7-2)17-25-11-12-33(44-4)34(18-25)45-5/h8-12,18-20,24,26,28,31,35H,6-7,13-17,21-23H2,1-5H3,(H,42,43)/t24-,28-,31+,35+/m0/s1 RJVRDLDDCGQDGE-GTRCSXEUSA-N 50141914 (2R,4S)-2-[(2S,3S)-3-{4-[5-(3,4-Dimethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL172090 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141914&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516226 104031367 CHEMBL172090 ZINC55646833 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260945 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C36H43F7N4O2/c1-4-22(3)33(34(48)49)46-20-26(31(21-46)25-7-6-8-29(37)16-25)19-45-11-9-24(10-12-45)32-18-30(44-47(32)5-2)15-23-13-27(35(38,39)40)17-28(14-23)36(41,42)43/h6-8,13-14,16-18,22,24,26,31,33H,4-5,9-12,15,19-21H2,1-3H3,(H,48,49)/t22-,26+,31-,33-/m1/s1 WSCADJXHCWOAEO-IFMCOSRBSA-N 50141976 (2R,4R)-2-[(2S,3S)-3-{4-[5-(3,5-Bis-trifluoromethyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL368182 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141976&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516238 104031429 CHEMBL368182 ZINC28019090 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260946 CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H46ClFN4O2/c1-2-42-34(21-32(39-42)19-25-11-13-30(37)14-12-25)26-15-17-40(18-16-26)22-29-23-41(24-33(29)28-9-6-10-31(38)20-28)35(36(43)44)27-7-4-3-5-8-27/h6,9-14,20-21,26-27,29,33,35H,2-5,7-8,15-19,22-24H2,1H3,(H,43,44)/t29-,33+,35+/m0/s1 RTBAIVWNBSQJJO-HMQVCXRFSA-N 50141974 (R)-[(2S,3S)-3-{4-[5-(4-Chloro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL366600 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141974&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516300 104031427 CHEMBL366600 ZINC28017205 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260947 CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C(C)C)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C35H47FN4O3/c1-5-40-33(20-30(37-40)18-25-10-12-31(13-11-25)43-6-2)26-14-16-38(17-15-26)21-28-22-39(34(24(3)4)35(41)42)23-32(28)27-8-7-9-29(36)19-27/h7-13,19-20,24,26,28,32,34H,5-6,14-18,21-23H2,1-4H3,(H,41,42)/t28-,32+,34+/m0/s1 SBOQQQJCTLABKQ-NWLDEYSWSA-N 50141975 (R)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL367383 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141975&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516190 104031428 CHEMBL367383 ZINC28017895 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260948 CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C39H47FN4O3/c1-4-44-37(23-33(41-44)21-28-13-15-35(16-14-28)47-34-11-6-5-7-12-34)29-17-19-42(20-18-29)24-31-25-43(38(27(2)3)39(45)46)26-36(31)30-9-8-10-32(40)22-30/h5-16,22-23,27,29,31,36,38H,4,17-21,24-26H2,1-3H3,(H,45,46)/t31-,36+,38+/m0/s1 YTYBDTOBXSWUBR-XXSKFNENSA-N 50141980 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-phenoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL425845 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516196 104031433 CHEMBL425845 ZINC28013628 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260949 CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C37H51FN4O3/c1-7-42-34(21-31(39-42)19-26-11-13-32(14-12-26)45-25(2)3)27-15-17-40(18-16-27)22-29-23-41(35(36(43)44)37(4,5)6)24-33(29)28-9-8-10-30(38)20-28/h8-14,20-21,25,27,29,33,35H,7,15-19,22-24H2,1-6H3,(H,43,44)/t29-,33+,35-/m0/s1 LDTUIPCDYVXKIB-AUFCLJJTSA-N 50141979 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-isopropoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL368204 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516276 104031432 CHEMBL368204 ZINC28021351 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260950 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(C)C)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C37H51FN4O3/c1-6-26(5)36(37(43)44)41-23-30(34(24-41)29-9-8-10-31(38)20-29)22-40-17-15-28(16-18-40)35-21-32(39-42(35)7-2)19-27-11-13-33(14-12-27)45-25(3)4/h8-14,20-21,25-26,28,30,34,36H,6-7,15-19,22-24H2,1-5H3,(H,43,44)/t26-,30-,34+,36+/m0/s1 OYTNIRQQOVWLED-NGZLLANBSA-N 50141991 2-[3-{4-[2-Ethyl-5-(4-isopropoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL176624 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141991&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516218 104031444 CHEMBL176624 ZINC28021356 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260951 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OCc4ccccc4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C41H51FN4O3/c1-4-29(3)40(41(47)48)45-26-34(38(27-45)33-12-9-13-35(42)23-33)25-44-20-18-32(19-21-44)39-24-36(43-46(39)5-2)22-30-14-16-37(17-15-30)49-28-31-10-7-6-8-11-31/h6-17,23-24,29,32,34,38,40H,4-5,18-22,25-28H2,1-3H3,(H,47,48)/t29-,34-,38+,40+/m0/s1 HLZAJLBSYWFNOU-DDEBSJFKSA-N 50141989 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Benzyloxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL177648 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141989&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516220 104031442 CHEMBL177648 ZINC28099409 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260952 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc(c3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H44FN5O2/c1-4-24(3)34(35(42)43)40-22-29(32(23-40)28-10-7-11-30(36)18-28)21-39-14-12-27(13-15-39)33-19-31(38-41(33)5-2)17-25-8-6-9-26(16-25)20-37/h6-11,16,18-19,24,27,29,32,34H,4-5,12-15,17,21-23H2,1-3H3,(H,42,43)/t24-,29-,32+,34+/m0/s1 FXLAPFPCYPOHJC-YFWLMSIWSA-N 50141992 (2R,4S)-2-[(2S,3S)-3-{4-[5-(3-Cyano-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL171468 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141992&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516208 104031445 CHEMBL171468 ZINC28013318 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260953 CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C32H42FN5O2/c1-4-38-30(17-28(35-38)15-23-7-6-12-34-18-23)24-10-13-36(14-11-24)19-26-20-37(31(22(2)3)32(39)40)21-29(26)25-8-5-9-27(33)16-25/h5-9,12,16-18,22,24,26,29,31H,4,10-11,13-15,19-21H2,1-3H3,(H,39,40)/t26-,29+,31+/m0/s1 JJPCMURNTDRPSJ-QRLJAKNQSA-N 50141993 (R)-2-[(2S,3S)-3-[4-(2-Ethyl-5-pyridin-3-ylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL176655 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141993&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516188 104031446 CHEMBL176655 ZINC28095119 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260954 CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C39H51FN4O3/c1-2-44-37(23-33(41-44)21-27-11-13-34(14-12-27)47-35-15-16-35)28-17-19-42(20-18-28)24-31-25-43(26-36(31)30-9-6-10-32(40)22-30)38(39(45)46)29-7-4-3-5-8-29/h6,9-14,22-23,28-29,31,35-36,38H,2-5,7-8,15-21,24-26H2,1H3,(H,45,46)/t31-,36+,38+/m0/s1 BUHHUODYGDXLAO-XXSKFNENSA-N 50141990 (R)-Cyclohexyl-[(2S,3S)-3-{4-[5-(4-cyclopropoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL171958 C-C chemokine receptor type 5 0.200000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141990&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516310 104031443 CHEMBL171958 ZINC28017729 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260955 CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C38H53FN4O3/c1-5-8-20-46-34-14-12-28(13-15-34)21-33-23-36(43(7-3)40-33)29-16-18-41(19-17-29)24-31-25-42(37(38(44)45)27(4)6-2)26-35(31)30-10-9-11-32(39)22-30/h9-15,22-23,27,29,31,35,37H,5-8,16-21,24-26H2,1-4H3,(H,44,45)/t27-,31-,35+,37+/m0/s1 DKLYXIOKIUWOPO-XKYGAVHWSA-N 50141988 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL368309 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141988&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516215 104031441 CHEMBL368309 ZINC28099268 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260956 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H44FN5O2/c1-4-24(3)34(35(42)43)40-22-29(32(23-40)28-7-6-8-30(36)18-28)21-39-15-13-27(14-16-39)33-19-31(38-41(33)5-2)17-25-9-11-26(20-37)12-10-25/h6-12,18-19,24,27,29,32,34H,4-5,13-17,21-23H2,1-3H3,(H,42,43)/t24-,29+,32-,34-/m1/s1 QXILTVSZVUBYFU-TWNSHOTESA-N 50141984 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL367246 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141984&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516239 104031437 CHEMBL367246 ZINC28085507 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260957 CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)cc1F InChI=1S/C36H48F2N4O3/c1-6-42-32(20-29(39-42)17-24-11-12-33(45-7-2)31(38)18-24)25-13-15-40(16-14-25)21-27-22-41(34(35(43)44)36(3,4)5)23-30(27)26-9-8-10-28(37)19-26/h8-12,18-20,25,27,30,34H,6-7,13-17,21-23H2,1-5H3,(H,43,44)/t27-,30+,34-/m0/s1 INTDOQGZDPJUHG-UFZHQWOOSA-N 50141994 (R)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-3-fluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL349974 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141994&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516287 104031447 CHEMBL349974 ZINC28016115 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260958 CCn1nc(Cc2ccc(cc2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H46FN5O2/c1-2-43-35(21-33(40-43)19-26-11-13-27(22-39)14-12-26)28-15-17-41(18-16-28)23-31-24-42(25-34(31)30-9-6-10-32(38)20-30)36(37(44)45)29-7-4-3-5-8-29/h6,9-14,20-21,28-29,31,34,36H,2-5,7-8,15-19,23-25H2,1H3,(H,44,45)/t31-,34+,36+/m0/s1 JLBKIRLQWICEER-FFPQSLRISA-N 50141987 (R)-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL368459 C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141987&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516302 104031440 CHEMBL368459 ZINC28087544 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260959 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(O)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C34H45FN4O3/c1-4-23(3)33(34(41)42)38-21-27(31(22-38)26-7-6-8-28(35)18-26)20-37-15-13-25(14-16-37)32-19-29(36-39(32)5-2)17-24-9-11-30(40)12-10-24/h6-12,18-19,23,25,27,31,33,40H,4-5,13-17,20-22H2,1-3H3,(H,41,42)/t23-,27+,31-,33-/m1/s1 AYQPUUZHDGKDRB-KLTPPHAJSA-N 50141996 (2R,4R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-hydroxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL408800 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141996&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516253 104031449 CHEMBL408800 ZINC28088988 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260960 CCn1nc(Cc2ccc(cc2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H44FN5O2/c1-5-41-32(19-30(38-41)17-24-9-11-25(20-37)12-10-24)26-13-15-39(16-14-26)21-28-22-40(33(34(42)43)35(2,3)4)23-31(28)27-7-6-8-29(36)18-27/h6-12,18-19,26,28,31,33H,5,13-17,21-23H2,1-4H3,(H,42,43)/t28-,31+,33-/m0/s1 OLUONKODHNDKJM-HQRWHSCBSA-N 50141911 (R)-2-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL367169 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141911&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516264 104031364 CHEMBL367169 ZINC28020265 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260961 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C(F)(F)F)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H44F4N4O2/c1-4-23(3)33(34(44)45)42-21-27(31(22-42)26-7-6-8-29(36)18-26)20-41-15-13-25(14-16-41)32-19-30(40-43(32)5-2)17-24-9-11-28(12-10-24)35(37,38)39/h6-12,18-19,23,25,27,31,33H,4-5,13-17,20-22H2,1-3H3,(H,44,45)/t23-,27-,31+,33+/m0/s1 FAZPCIDHXLZGET-MQMFKJKRSA-N 50141985 (2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-trifluoromethyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL366610 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141985&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516205 104031438 CHEMBL366610 ZINC28099428 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260964 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc4ccccc34)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H47FN4O2/c1-4-26(3)37(38(44)45)42-24-31(35(25-42)29-13-9-14-32(39)20-29)23-41-18-16-28(17-19-41)36-22-33(40-43(36)5-2)21-30-12-8-11-27-10-6-7-15-34(27)30/h6-15,20,22,26,28,31,35,37H,4-5,16-19,21,23-25H2,1-3H3,(H,44,45)/t26-,31-,35+,37+/m0/s1 JMOOJQQUXGNGBN-VZIQHIPPSA-N 50141995 (2R,4S)-2-[(2S,3S)-3-[4-(2-Ethyl-5-naphthalen-1-ylmethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL366611 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141995&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516230 104031448 CHEMBL366611 ZINC28099911 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260965 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(F)(F)F)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H44F4N4O3/c1-4-23(3)33(34(44)45)42-21-27(31(22-42)26-7-6-8-28(36)18-26)20-41-15-13-25(14-16-41)32-19-29(40-43(32)5-2)17-24-9-11-30(12-10-24)46-35(37,38)39/h6-12,18-19,23,25,27,31,33H,4-5,13-17,20-22H2,1-3H3,(H,44,45)/t23-,27+,31-,33-/m1/s1 NYXHSNJGOQCTBS-KLTPPHAJSA-N 50141983 2-[3-{4-[2-Ethyl-5-(4-trifluoromethoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL369659 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141983&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516250 104031436 CHEMBL369659 ZINC28086192 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260966 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc4OCOc4c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H45FN4O4/c1-4-23(3)34(35(41)42)39-20-27(30(21-39)26-7-6-8-28(36)17-26)19-38-13-11-25(12-14-38)31-18-29(37-40(31)5-2)15-24-9-10-32-33(16-24)44-22-43-32/h6-10,16-18,23,25,27,30,34H,4-5,11-15,19-22H2,1-3H3,(H,41,42)/t23-,27-,30+,34+/m0/s1 YHXSYDDMGBQKTA-NZUHDKDNSA-N 50142001 (2R,4S)-2-[(2S,3S)-3-[4-(5-Benzo[1,3]dioxol-5-ylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL175341 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142001&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516227 104031454 CHEMBL175341 ZINC28019886 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260967 CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C40H55FN4O3/c1-5-45-37(24-34(42-45)22-28-14-16-35(17-15-28)48-40(2,3)4)29-18-20-43(21-19-29)25-32-26-44(27-36(32)31-12-9-13-33(41)23-31)38(39(46)47)30-10-7-6-8-11-30/h9,12-17,23-24,29-30,32,36,38H,5-8,10-11,18-22,25-27H2,1-4H3,(H,46,47)/t32-,36+,38+/m0/s1 JAZDXLMRRUTSBU-GFJCEQABSA-N 50142004 (R)-[(2S,3S)-3-{4-[5-(4-tert-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL173091 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142004&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516311 104031457 CHEMBL173091 ZINC28022013 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260968 CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H45F3N4O2/c1-2-43-34(20-32(40-43)17-24-15-30(38)19-31(39)16-24)25-11-13-41(14-12-25)21-28-22-42(23-33(28)27-9-6-10-29(37)18-27)35(36(44)45)26-7-4-3-5-8-26/h6,9-10,15-16,18-20,25-26,28,33,35H,2-5,7-8,11-14,17,21-23H2,1H3,(H,44,45)/t28-,33+,35+/m0/s1 QGPWJPTUKNQFRA-GCFSYYHISA-N 50142005 (R)-Cyclohexyl-[(2S,3S)-3-{4-[5-(3,5-difluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL368332 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142005&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516298 104031458 CHEMBL368332 ZINC28019280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260969 CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H41F3N4O2/c1-4-40-31(17-28(37-40)15-24-8-9-27(35)16-30(24)36)22-10-12-38(13-11-22)18-25-19-39(32(21(2)3)33(41)42)20-29(25)23-6-5-7-26(34)14-23/h5-9,14,16-17,21-22,25,29,32H,4,10-13,15,18-20H2,1-3H3,(H,41,42)/t25-,29+,32+/m0/s1 FMXSKMJVOKFBNU-IUGUYLHOSA-N 50142002 (R)-2-[(2S,3S)-3-{4-[5-(2,4-Difluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL368098 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142002&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516180 104031455 CHEMBL368098 ZINC28013334 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260970 CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)c1 InChI=1S/C36H49FN4O3/c1-6-41-33(21-30(38-41)18-25-10-8-13-31(19-25)44-7-2)26-14-16-39(17-15-26)22-28-23-40(34(35(42)43)36(3,4)5)24-32(28)27-11-9-12-29(37)20-27/h8-13,19-21,26,28,32,34H,6-7,14-18,22-24H2,1-5H3,(H,42,43)/t28-,32+,34-/m0/s1 LTMRDWVSJXSDFC-OKRUAUFTSA-N 50142003 (R)-2-[(2S,3S)-3-{4-[5-(3-Ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL433793 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142003&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516271 104031456 CHEMBL433793 ZINC28095638 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260971 CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H46F2N4O2/c1-2-42-34(21-32(39-42)19-25-11-13-30(37)14-12-25)26-15-17-40(18-16-26)22-29-23-41(24-33(29)28-9-6-10-31(38)20-28)35(36(43)44)27-7-4-3-5-8-27/h6,9-14,20-21,26-27,29,33,35H,2-5,7-8,15-19,22-24H2,1H3,(H,43,44)/t29-,33+,35+/m0/s1 SUWLMLOCAPXBKA-HMQVCXRFSA-N 50141986 (R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-fluoro-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL367489 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516295 104031439 CHEMBL367489 ZINC28088092 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260972 CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@H](C)CC)C(O)=O)CC3)n(CC)n2)c1 InChI=1S/C36H49FN4O3/c1-5-25(4)35(36(42)43)40-23-29(33(24-40)28-11-9-12-30(37)20-28)22-39-16-14-27(15-17-39)34-21-31(38-41(34)6-2)18-26-10-8-13-32(19-26)44-7-3/h8-13,19-21,25,27,29,33,35H,5-7,14-18,22-24H2,1-4H3,(H,42,43)/t25-,29+,33-,35-/m1/s1 RGIPYCSQKBJEOA-YAYDYDRESA-N 50141998 (2R,4R)-2-[(2S,3S)-3-{4-[5-(3-Ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL263787 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141998&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516242 104031451 CHEMBL263787 ZINC28085511 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260973 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC(C)(C)C)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C38H53FN4O3/c1-7-26(3)36(37(44)45)42-24-30(34(25-42)29-10-9-11-31(39)21-29)23-41-18-16-28(17-19-41)35-22-32(40-43(35)8-2)20-27-12-14-33(15-13-27)46-38(4,5)6/h9-15,21-22,26,28,30,34,36H,7-8,16-20,23-25H2,1-6H3,(H,44,45)/t26-,30-,34+,36+/m0/s1 XNRDIULNKXSIMU-NGZLLANBSA-N 50141997 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-tert-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL176980 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141997&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516219 104031450 CHEMBL176980 ZINC28086162 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260975 CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C34H51FN4O2/c1-5-39-31(20-29(36-39)18-24-10-7-6-8-11-24)25-14-16-37(17-15-25)21-27-22-38(32(33(40)41)34(2,3)4)23-30(27)26-12-9-13-28(35)19-26/h9,12-13,19-20,24-25,27,30,32H,5-8,10-11,14-18,21-23H2,1-4H3,(H,40,41)/t27-,30+,32-/m0/s1 UQTDOHYMRIKRFP-KUYURNMDSA-N 50142010 (R)-2-[(2S,3S)-3-[4-(5-Cyclohexylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL173492 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142010&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516261 104031463 CHEMBL173492 ZINC28013116 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260976 CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C4CCCCC4)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C39H53FN4O3/c1-3-21-47-35-15-13-28(14-16-35)22-34-24-37(44(4-2)41-34)29-17-19-42(20-18-29)25-32-26-43(27-36(32)31-11-8-12-33(40)23-31)38(39(45)46)30-9-6-5-7-10-30/h8,11-16,23-24,29-30,32,36,38H,3-7,9-10,17-22,25-27H2,1-2H3,(H,45,46)/t32-,36+,38+/m0/s1 VWYAKQIBNSPPEC-GFJCEQABSA-N 50141999 (R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-propoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL175394 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141999&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516308 104031452 CHEMBL175394 ZINC28019743 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260977 CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C37H51FN4O3/c1-5-19-45-33-13-11-27(12-14-33)20-32-22-35(42(7-3)39-32)28-15-17-40(18-16-28)23-30-24-41(36(37(43)44)26(4)6-2)25-34(30)29-9-8-10-31(38)21-29/h8-14,21-22,26,28,30,34,36H,5-7,15-20,23-25H2,1-4H3,(H,43,44)/t26-,30+,34-,36-/m1/s1 OYAJBCNCCCHJQB-PTTLIBFYSA-N 50142000 (2R,4R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-propoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL367697 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142000&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516243 104031453 CHEMBL367697 ZINC28020299 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260978 CCn1nc(Cc2ccc(cc2)C(C)(C)C)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C38H53FN4O2/c1-8-43-34(22-32(40-43)20-26-12-14-30(15-13-26)37(2,3)4)27-16-18-41(19-17-27)23-29-24-42(35(36(44)45)38(5,6)7)25-33(29)28-10-9-11-31(39)21-28/h9-15,21-22,27,29,33,35H,8,16-20,23-25H2,1-7H3,(H,44,45)/t29-,33+,35-/m0/s1 JQPRDWQRAAFLTI-AUFCLJJTSA-N 50141908 (R)-2-[(2S,3S)-3-{4-[5-(4-tert-Butyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL174214 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141908&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516292 104031361 CHEMBL174214 ZINC28093206 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260981 CCn1nc(Cc2cccc(c2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H44FN5O2/c1-5-41-32(19-30(38-41)17-24-8-6-9-25(16-24)20-37)26-12-14-39(15-13-26)21-28-22-40(33(34(42)43)35(2,3)4)23-31(28)27-10-7-11-29(36)18-27/h6-11,16,18-19,26,28,31,33H,5,12-15,17,21-23H2,1-4H3,(H,42,43)/t28-,31+,33-/m0/s1 RDTANKKXEPUITL-HQRWHSCBSA-N 50142011 (R)-2-[(2S,3S)-3-{4-[5-(3-Cyano-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL172820 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142011&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44384584 104031464 CHEMBL172820 ZINC28012494 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260982 CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C34H43F3N4O3/c1-4-41-31(18-28(38-41)16-23-8-10-29(11-9-23)44-34(36)37)24-12-14-39(15-13-24)19-26-20-40(32(22(2)3)33(42)43)21-30(26)25-6-5-7-27(35)17-25/h5-11,17-18,22,24,26,30,32,34H,4,12-16,19-21H2,1-3H3,(H,42,43)/t26-,30+,32+/m0/s1 QWGGANWFKFBCQI-NNYJQHGCSA-N 50142012 (R)-2-[(2S,3S)-3-{4-[5-(4-Difluoromethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL369398 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142012&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516198 104031465 CHEMBL369398 ZINC28088263 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260983 CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1F InChI=1S/C36H48F2N4O3/c1-5-24(4)35(36(43)44)41-22-28(31(23-41)27-9-8-10-29(37)19-27)21-40-15-13-26(14-16-40)33-20-30(39-42(33)6-2)17-25-11-12-34(45-7-3)32(38)18-25/h8-12,18-20,24,26,28,31,35H,5-7,13-17,21-23H2,1-4H3,(H,43,44)/t24-,28-,31+,35+/m0/s1 HBHXAVXLZKWCKM-GTRCSXEUSA-N 50142021 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-3-fluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL173308 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142021&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516229 104031474 CHEMBL173308 ZINC28015379 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260985 CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H47FN4O3/c1-2-41-34(21-31(38-41)19-25-11-13-32(42)14-12-25)26-15-17-39(18-16-26)22-29-23-40(24-33(29)28-9-6-10-30(37)20-28)35(36(43)44)27-7-4-3-5-8-27/h6,9-14,20-21,26-27,29,33,35,42H,2-5,7-8,15-19,22-24H2,1H3,(H,43,44)/t29-,33+,35+/m0/s1 RXLHNEPWLCJVNN-HMQVCXRFSA-N 50142018 (R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-hydroxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL176528 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142018&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516313 104031471 CHEMBL176528 ZINC28088960 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260986 CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C36H49FN4O4/c1-7-41-31(20-29(38-41)17-24-11-12-32(44-5)33(18-24)45-6)25-13-15-39(16-14-25)21-27-22-40(34(35(42)43)36(2,3)4)23-30(27)26-9-8-10-28(37)19-26/h8-12,18-20,25,27,30,34H,7,13-17,21-23H2,1-6H3,(H,42,43)/t27-,30+,34-/m0/s1 RCAXDUZVJIMXJF-UFZHQWOOSA-N 50141972 (R)-2-[(2S,3S)-3-{4-[5-(3,4-Dimethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL172806 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141972&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516284 104031425 CHEMBL172806 ZINC55646874 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260987 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)-c3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C40H49FN4O2/c1-4-28(3)39(40(46)47)44-26-34(37(27-44)33-12-9-13-35(41)23-33)25-43-20-18-32(19-21-43)38-24-36(42-45(38)5-2)22-29-14-16-31(17-15-29)30-10-7-6-8-11-30/h6-17,23-24,28,32,34,37,39H,4-5,18-22,25-27H2,1-3H3,(H,46,47)/t28-,34+,37-,39-/m1/s1 CAGZIBHOJDZLGX-WOFKWEEXSA-N 50142020 (2R,4R)-2-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL367416 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142020&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516259 104031473 CHEMBL367416 ZINC28014306 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260988 CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H43FN4O3/c1-4-38-31(18-28(35-38)16-23-8-10-29(39)11-9-23)24-12-14-36(15-13-24)19-26-20-37(32(22(2)3)33(40)41)21-30(26)25-6-5-7-27(34)17-25/h5-11,17-18,22,24,26,30,32,39H,4,12-16,19-21H2,1-3H3,(H,40,41)/t26-,30+,32+/m0/s1 VDRHHLLGNIGFLU-NNYJQHGCSA-N 50142016 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-hydroxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL262663 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142016&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516199 104031469 CHEMBL262663 ZINC28023067 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260989 CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C42H51FN4O3/c1-2-47-40(26-36(44-47)24-30-16-18-38(19-17-30)50-37-14-7-4-8-15-37)31-20-22-45(23-21-31)27-34-28-46(29-39(34)33-12-9-13-35(43)25-33)41(42(48)49)32-10-5-3-6-11-32/h4,7-9,12-19,25-26,31-32,34,39,41H,2-3,5-6,10-11,20-24,27-29H2,1H3,(H,48,49)/t34-,39+,41+/m0/s1 MEIWEAHNGJVULN-NXLXXTAESA-N 50142019 CHEMBL173479::Cyclohexyl-[3-{4-[2-ethyl-5-(4-phenoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142019&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516312 104031472 CHEMBL173479 ZINC28013581 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260990 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(CC3CCCCC3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C34H51FN4O2/c1-4-24(3)33(34(40)41)38-22-28(31(23-38)27-12-9-13-29(35)19-27)21-37-16-14-26(15-17-37)32-20-30(36-39(32)5-2)18-25-10-7-6-8-11-25/h9,12-13,19-20,24-26,28,31,33H,4-8,10-11,14-18,21-23H2,1-3H3,(H,40,41)/t24-,28-,31+,33+/m0/s1 PQVFHJADTQQVLM-ONPYCXCXSA-N 50142017 (2R,3S)-2-[(2S,3S)-3-[4-(5-Cyclohexylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL170118 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142017&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516204 104031470 CHEMBL170118 ZINC28008035 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260991 CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(cc3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H44FN5O2/c1-4-24(3)34(35(42)43)40-22-29(32(23-40)28-7-6-8-30(36)18-28)21-39-15-13-27(14-16-39)33-19-31(38-41(33)5-2)17-25-9-11-26(20-37)12-10-25/h6-12,18-19,24,27,29,32,34H,4-5,13-17,21-23H2,1-3H3,(H,42,43)/t24-,29-,32+,34+/m0/s1 QXILTVSZVUBYFU-YFWLMSIWSA-N 50142013 (2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL173482 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142013&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516207 104031466 CHEMBL173482 ZINC28014840 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260992 CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C37H51FN4O3/c1-5-19-45-33-13-11-27(12-14-33)20-32-22-35(42(7-3)39-32)28-15-17-40(18-16-28)23-30-24-41(36(37(43)44)26(4)6-2)25-34(30)29-9-8-10-31(38)21-29/h8-14,21-22,26,28,30,34,36H,5-7,15-20,23-25H2,1-4H3,(H,43,44)/t26-,30-,34+,36+/m0/s1 OYAJBCNCCCHJQB-NGZLLANBSA-N 50142014 (2R,4S)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-propoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL369277 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142014&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516214 104031467 CHEMBL369277 ZINC28095033 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260993 CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C(C)C)C(O)=O)CC3)n(CC)n2)cc1 InChI=1S/C36H49FN4O3/c1-5-18-44-32-12-10-26(11-13-32)19-31-21-34(41(6-2)38-31)27-14-16-39(17-15-27)22-29-23-40(35(25(3)4)36(42)43)24-33(29)28-8-7-9-30(37)20-28/h7-13,20-21,25,27,29,33,35H,5-6,14-19,22-24H2,1-4H3,(H,42,43)/t29-,33+,35+/m0/s1 YYKXMAVSPFGIFC-HMQVCXRFSA-N 50142015 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-propoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL369278 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142015&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516191 104031468 CHEMBL369278 ZINC28095039 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260994 CCn1nc(Cc2ccc(cc2)S(C)(=O)=O)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H47FN4O4S/c1-6-40-32(20-29(37-40)18-24-10-12-30(13-11-24)45(5,43)44)25-14-16-38(17-15-25)21-27-22-39(33(34(41)42)35(2,3)4)23-31(27)26-8-7-9-28(36)19-26/h7-13,19-20,25,27,31,33H,6,14-18,21-23H2,1-5H3,(H,41,42)/t27-,31+,33-/m0/s1 BRCFAGPWPWYSAX-QOCRQHEPSA-N 50142007 (R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-methanesulfonyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL367461 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142007&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516266 104031460 CHEMBL367461 ZINC28006399 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260995 CCn1nc(Cc2ccc(cc2)S(C)(=O)=O)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H49FN4O4S/c1-3-42-35(22-32(39-42)20-26-12-14-33(15-13-26)47(2,45)46)27-16-18-40(19-17-27)23-30-24-41(25-34(30)29-10-7-11-31(38)21-29)36(37(43)44)28-8-5-4-6-9-28/h7,10-15,21-22,27-28,30,34,36H,3-6,8-9,16-20,23-25H2,1-2H3,(H,43,44)/t30-,34+,36+/m0/s1 ZDKXQXAQSWXSLV-LOZBNSEJSA-N 50142008 (R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-methanesulfonyl-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid::CHEMBL177157 C-C chemokine receptor type 5 2.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142008&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516303 104031461 CHEMBL177157 ZINC28022949 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260996 CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H42ClFN4O2/c1-4-39-31(18-29(36-39)16-23-8-10-27(34)11-9-23)24-12-14-37(15-13-24)19-26-20-38(32(22(2)3)33(40)41)21-30(26)25-6-5-7-28(35)17-25/h5-11,17-18,22,24,26,30,32H,4,12-16,19-21H2,1-3H3,(H,40,41)/t26-,30+,32+/m0/s1 MXJBFVIZLFDIAO-NNYJQHGCSA-N 50142006 (R)-2-[(2S,3S)-3-{4-[5-(4-Chloro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL369822 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142006&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516181 104031459 CHEMBL369822 ZINC28017818 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260997 CCn1nc(Cc2ccc3OCOc3c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C35H45FN4O4/c1-5-40-30(18-28(37-40)15-23-9-10-31-32(16-23)44-22-43-31)24-11-13-38(14-12-24)19-26-20-39(33(34(41)42)35(2,3)4)21-29(26)25-7-6-8-27(36)17-25/h6-10,16-18,24,26,29,33H,5,11-15,19-22H2,1-4H3,(H,41,42)/t26-,29+,33-/m0/s1 FEKNIQDVBGNYIH-NEUJRDPRSA-N 50142009 (R)-2-[(2S,3S)-3-[4-(5-Benzo[1,3]dioxol-5-ylmethyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL172322 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142009&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516285 104031462 CHEMBL172322 ZINC28019479 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260998 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OCc4ccccc4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C41H51FN4O3/c1-4-29(3)40(41(47)48)45-26-34(38(27-45)33-12-9-13-35(42)23-33)25-44-20-18-32(19-21-44)39-24-36(43-46(39)5-2)22-30-14-16-37(17-15-30)49-28-31-10-7-6-8-11-31/h6-17,23-24,29,32,34,38,40H,4-5,18-22,25-28H2,1-3H3,(H,47,48)/t29-,34+,38-,40-/m1/s1 HLZAJLBSYWFNOU-BYBKDXPSSA-N 50142022 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Benzyloxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL368000 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50142022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50142022&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516248 104031475 CHEMBL368000 ZINC28093220 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264214 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3 UALHUWYCEAVLAG-UHFFFAOYSA-N 50143734 3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL59511 C-C chemokine receptor type 5 10.8 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008904 104032894 CHEMBL59511 ZINC03943033 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264215 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3 UALHUWYCEAVLAG-UHFFFAOYSA-N 50143734 3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL59511 C-C chemokine receptor type 5 2.8 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008904 104032894 CHEMBL59511 ZINC03943033 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264216 CC1(CCN(CC1)C(=O)c1c(Cl)cccc1Cl)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H33Cl2N3O/c1-30(17-21-33(22-18-30)29(36)28-26(31)13-8-14-27(28)32)34-19-15-25(16-20-34)35(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,25H,15-22H2,1H3 UWQOQINSXNYULS-UHFFFAOYSA-N 50143735 (2,6-Dichloro-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58441 C-C chemokine receptor type 5 7.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008923 104032895 CHEMBL58441 ZINC13560295 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264217 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccc(cc1)C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-13-20-38(40)26(2)31(25)32(39)35-21-16-33(3,17-22-35)36-18-14-30(15-19-36)37(29-7-5-4-6-8-29)24-28-11-9-27(23-34)10-12-28/h4-13,20,30H,14-19,21-22,24H2,1-3H3 AOWLRXYVDVTOJD-UHFFFAOYSA-N 50143737 4-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL58248 C-C chemokine receptor type 5 350 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008905 104032897 CHEMBL58248 ZINC13560278 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264218 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H36N4O2/c1-23-13-22-33(36)24(2)29(23)30(35)32-20-14-25(15-21-32)31-18-16-28(17-19-31)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,22,25,28H,14-21H2,1-2H3 FBZSHCHGNUZBDT-UHFFFAOYSA-N 50143733 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58109 C-C chemokine receptor type 5 9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008936 104032893 CHEMBL58109 ZINC13560306 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264219 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-13-20-38(40)26(2)31(25)32(39)35-21-16-33(3,17-22-35)36-18-14-30(15-19-36)37(29-11-5-4-6-12-29)24-28-10-8-7-9-27(28)23-34/h4-13,20,30H,14-19,21-22,24H2,1-3H3 AZJZWAKIHZVOES-UHFFFAOYSA-N 50143739 2-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL418120 C-C chemokine receptor type 5 80 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008903 104032899 CHEMBL418120 ZINC13560277 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264220 CC1(CCN(CC1)C(=O)c1ccccc1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H35N3O/c1-30(19-23-31(24-20-30)29(34)25-11-5-2-6-12-25)32-21-17-28(18-22-32)33(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,28H,17-24H2,1H3 FMYPVSDFWPESIY-UHFFFAOYSA-N 50143738 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-phenyl-methanone::CHEMBL292894 C-C chemokine receptor type 5 200 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008919 104032898 CHEMBL292894 ZINC13560291 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264221 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 AZSCGFLVNBRMKE-UHFFFAOYSA-N 50143741 (4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58004 C-C chemokine receptor type 5 2.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008930 104032901 CHEMBL58004 ZINC03942459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264222 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc2ccn(C)c2c1 InChI=1S/C29H38N4O/c1-21-6-5-7-22(2)27(21)28(34)32-18-13-29(3,14-19-32)33-16-11-24(12-17-33)30-25-9-8-23-10-15-31(4)26(23)20-25/h5-10,15,20,24,30H,11-14,16-19H2,1-4H3 NKKVEHXLRJSJIK-UHFFFAOYSA-N 50143742 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-indol-6-ylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL60279 C-C chemokine receptor type 5 1680 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143742&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008912 104032902 CHEMBL60279 ZINC13560285 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264223 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3 YFEPUDFZMYDTMF-UHFFFAOYSA-N 50143743 CHEMBL61536::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 14.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008902 104032903 CHEMBL61536 ZINC13560276 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264224 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3 IFESUQBEIVOUSO-UHFFFAOYSA-N 50143747 (4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61373 C-C chemokine receptor type 5 30 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008932 104032907 CHEMBL61373 ZINC29571849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264226 Cc1ncnc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C29H35N5O/c1-22-28(23(2)31-21-30-22)29(35)33-19-13-24(14-20-33)32-17-15-27(16-18-32)34(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,21,24,27H,13-20H2,1-2H3 QQVCTYISHLKPPR-UHFFFAOYSA-N 50143744 (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL59602 C-C chemokine receptor type 5 62 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008937 104032904 CHEMBL59602 ZINC13560305 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264227 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccccc1 InChI=1S/C36H41N5O/c1-27-33(28(2)38-34(37-27)29-13-7-4-8-14-29)35(42)39-25-21-36(3,22-26-39)40-23-19-32(20-24-40)41(30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-18,32H,19-26H2,1-3H3 NZFYIDWRHCRROY-UHFFFAOYSA-N 50143746 (4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61374 C-C chemokine receptor type 5 16.5 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008931 104032906 CHEMBL61374 ZINC29571854 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264228 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3 JBRPUKJNMGIQRP-UHFFFAOYSA-N 50143740 (4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone::CHEMBL301454::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008913 104032900 CHEMBL301454 ZINC13560286 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264229 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3 UALHUWYCEAVLAG-UHFFFAOYSA-N 50143734 3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL59511 C-C chemokine receptor type 5 0.6 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008904 104032894 CHEMBL59511 ZINC03943033 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264230 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H37N3O/c1-24-10-9-11-25(2)30(24)31(35)33-22-16-26(17-23-33)32-20-18-29(19-21-32)34(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-15,26,29H,16-23H2,1-2H3 KWPAQVVTTPTSTI-UHFFFAOYSA-N 50143748 (2,6-Dimethyl-phenyl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58101 C-C chemokine receptor type 5 26 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008934 104032908 CHEMBL58101 ZINC13560303 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264231 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)NCc1ccccc1 InChI=1S/C27H37N3O/c1-21-8-7-9-22(2)25(21)26(31)29-18-14-27(3,15-19-29)30-16-12-24(13-17-30)28-20-23-10-5-4-6-11-23/h4-11,24,28H,12-20H2,1-3H3 TXJVJGOVBNVZNM-UHFFFAOYSA-N 50143749 (4-Benzylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL59492 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008915 104032909 CHEMBL59492 ZINC13560287 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264232 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3 KFDHCUNXEPNTLZ-UHFFFAOYSA-N 50143750 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL556314 C-C chemokine receptor type 5 3.3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008929 104032910 CHEMBL556314 ZINC13560301 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264233 CC1(CCN(CC1)C(=O)c1cccc2[nH]ccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H36N4O/c1-32(18-23-34(24-19-32)31(37)29-13-8-14-30-28(29)15-20-33-30)35-21-16-27(17-22-35)36(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-15,20,27,33H,16-19,21-24H2,1H3 RYDKSVOIYJIUMD-UHFFFAOYSA-N 50143751 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(1H-indol-4-yl)-methanone::CHEMBL293900 C-C chemokine receptor type 5 31 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008925 104032911 CHEMBL293900 ZINC13560297 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264234 Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H41N3O2S/c1-25-23-26(2)31(27(3)24-25)38(36,37)34-21-17-32(4,18-22-34)33-19-15-30(16-20-33)35(28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-14,23-24,30H,15-22H2,1-4H3 XAKCAJVBHUYUGU-UHFFFAOYSA-N 50143752 CHEMBL60589::[4'-Methyl-1'-(2,4,6-trimethyl-benzenesulfonyl)-[1,4']bipiperidinyl-4-yl]-diphenyl-amine C-C chemokine receptor type 5 41 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008933 104032912 CHEMBL60589 ZINC13560302 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264235 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(cc1)-c1ccccc1 InChI=1S/C32H39N3O/c1-24-8-7-9-25(2)30(24)31(36)34-22-18-32(3,19-23-34)35-20-16-29(17-21-35)33-28-14-12-27(13-15-28)26-10-5-4-6-11-26/h4-15,29,33H,16-23H2,1-3H3 YRVUHYDIBCBIRY-UHFFFAOYSA-N 50143753 CHEMBL59285::[4-(Biphenyl-4-ylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 460 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143753&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008910 104032913 CHEMBL59285 ZINC13560283 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264236 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)NCc1ccccc1 InChI=1S/C27H37N3O/c1-21-8-7-9-22(2)25(21)26(31)29-18-14-27(3,15-19-29)30-16-12-24(13-17-30)28-20-23-10-5-4-6-11-23/h4-11,24,28H,12-20H2,1-3H3 TXJVJGOVBNVZNM-UHFFFAOYSA-N 50143749 (4-Benzylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL59492 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008915 104032909 CHEMBL59492 ZINC13560287 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264237 CC1(CCN(CC1)C(=O)c1ccccc1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H35N3O/c1-30(19-23-31(24-20-30)29(34)25-11-5-2-6-12-25)32-21-17-28(18-22-32)33(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,28H,17-24H2,1H3 FMYPVSDFWPESIY-UHFFFAOYSA-N 50143738 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-phenyl-methanone::CHEMBL292894 C-C chemokine receptor type 5 511.0 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008919 104032898 CHEMBL292894 ZINC13560291 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264238 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3 IFESUQBEIVOUSO-UHFFFAOYSA-N 50143747 (4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61373 C-C chemokine receptor type 5 7.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008932 104032907 CHEMBL61373 ZINC29571849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264239 CC1(CCN(CC1)C(=O)c1c[nH]c2ccccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H36N4O/c1-32(18-22-34(23-19-32)31(37)29-24-33-30-15-9-8-14-28(29)30)35-20-16-27(17-21-35)36(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,24,27,33H,16-23H2,1H3 ZDSRCGGVWAFNMR-UHFFFAOYSA-N 50143755 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(1H-indol-3-yl)-methanone::CHEMBL60711 C-C chemokine receptor type 5 48 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008926 104032915 CHEMBL60711 ZINC13560298 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264240 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)Cc1ccccc1 InChI=1S/C34H43N3O/c1-27-11-10-12-28(2)32(27)33(38)35-23-19-34(3,20-24-35)37-21-17-31(18-22-37)36(25-29-13-6-4-7-14-29)26-30-15-8-5-9-16-30/h4-16,31H,17-26H2,1-3H3 QDOTVMNTDPQVQO-UHFFFAOYSA-N 50143758 (4-Dibenzylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL416512 C-C chemokine receptor type 5 75 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143758&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008916 104032918 CHEMBL416512 ZINC13560288 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264241 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3 IFESUQBEIVOUSO-UHFFFAOYSA-N 50143747 (4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61373 C-C chemokine receptor type 5 2.8 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008932 104032907 CHEMBL61373 ZINC29571849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264242 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 LXIQLCKAIYEIEH-UHFFFAOYSA-N 50143756 (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(4,6-dimethylpyrimidin-5-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL61424 C-C chemokine receptor type 5 2.2 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008928 104032916 CHEMBL61424 ZINC13560300 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264243 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3 IFESUQBEIVOUSO-UHFFFAOYSA-N 50143747 (4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61373 C-C chemokine receptor type 5 7.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008932 104032907 CHEMBL61373 ZINC29571849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264244 CC1(CCN(CC1)C(=O)c1cccc2[nH]ccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H36N4O/c1-32(18-23-34(24-19-32)31(37)29-13-8-14-30-28(29)15-20-33-30)35-21-16-27(17-22-35)36(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-15,20,27,33H,16-19,21-24H2,1H3 RYDKSVOIYJIUMD-UHFFFAOYSA-N 50143751 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(1H-indol-4-yl)-methanone::CHEMBL293900 C-C chemokine receptor type 5 9.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008925 104032911 CHEMBL293900 ZINC13560297 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264245 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-13-20-38(40)26(2)31(25)32(39)35-21-16-33(3,17-22-35)36-18-14-30(15-19-36)37(29-11-5-4-6-12-29)24-28-10-8-7-9-27(28)23-34/h4-13,20,30H,14-19,21-22,24H2,1-3H3 AZJZWAKIHZVOES-UHFFFAOYSA-N 50143739 2-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL418120 C-C chemokine receptor type 5 >3000 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008903 104032899 CHEMBL418120 ZINC13560277 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264246 Cc1ccccc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H37N3O/c1-25-11-9-10-16-29(25)30(35)32-23-19-31(2,20-24-32)33-21-17-28(18-22-33)34(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-16,28H,17-24H2,1-2H3 ZWPAONRBGWEHFB-UHFFFAOYSA-N 50143760 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-o-tolyl-methanone::CHEMBL59101 C-C chemokine receptor type 5 7.8 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143760&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008918 104032920 CHEMBL59101 ZINC13560290 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264247 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Br)cc1 InChI=1S/C26H34BrN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3 UWYRPZAYLGOTBK-UHFFFAOYSA-N 50104934 CHEMBL292625::[4-(4-Bromo-phenylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 28.3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457871 104000731 CHEMBL292625 ZINC13560280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264248 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 LXIQLCKAIYEIEH-UHFFFAOYSA-N 50143756 (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(4,6-dimethylpyrimidin-5-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL61424 C-C chemokine receptor type 5 1 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008928 104032916 CHEMBL61424 ZINC13560300 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264249 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1cccc2ccn(C)c12 InChI=1S/C29H38N4O/c1-21-7-5-8-22(2)26(21)28(34)32-19-14-29(3,15-20-32)33-17-12-24(13-18-33)30-25-10-6-9-23-11-16-31(4)27(23)25/h5-11,16,24,30H,12-15,17-20H2,1-4H3 VSXCLFPMMBCXQW-UHFFFAOYSA-N 50143759 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-indol-7-ylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL294271 C-C chemokine receptor type 5 147 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143759&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008911 104032919 CHEMBL294271 ZINC13560284 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264250 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Cl)cc1 InChI=1S/C26H34ClN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3 AQZFFMQBFOQLGR-UHFFFAOYSA-N 50143761 CHEMBL61466::[4-(4-Chloro-phenylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 2.4 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143761&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008908 104032921 CHEMBL61466 ZINC13560281 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264251 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1 InChI=1S/C33H40BrN3O/c1-25-8-7-9-26(2)31(25)32(38)35-22-18-33(3,19-23-35)36-20-16-30(17-21-36)37(24-27-10-5-4-6-11-27)29-14-12-28(34)13-15-29/h4-15,30H,16-24H2,1-3H3 LFWRQDJRCRSTSQ-UHFFFAOYSA-N 50143745 CHEMBL60225::{4-[Benzyl-(4-bromo-phenyl)-amino]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 6.2 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008914 104032905 CHEMBL60225 ZINC26146180 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264252 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3 YFEPUDFZMYDTMF-UHFFFAOYSA-N 50143743 CHEMBL61536::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 5.1 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008902 104032903 CHEMBL61536 ZINC13560276 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264253 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1 InChI=1S/C33H40BrN3O/c1-25-8-7-9-26(2)31(25)32(38)35-22-18-33(3,19-23-35)36-20-16-30(17-21-36)37(24-27-10-5-4-6-11-27)29-14-12-28(34)13-15-29/h4-15,30H,16-24H2,1-3H3 LFWRQDJRCRSTSQ-UHFFFAOYSA-N 50143745 CHEMBL60225::{4-[Benzyl-(4-bromo-phenyl)-amino]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 15.6 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008914 104032905 CHEMBL60225 ZINC26146180 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264254 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccc(cc1)C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-13-20-38(40)26(2)31(25)32(39)35-21-16-33(3,17-22-35)36-18-14-30(15-19-36)37(29-7-5-4-6-8-29)24-28-11-9-27(23-34)10-12-28/h4-13,20,30H,14-19,21-22,24H2,1-3H3 AOWLRXYVDVTOJD-UHFFFAOYSA-N 50143737 4-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL58248 C-C chemokine receptor type 5 140 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008905 104032897 CHEMBL58248 ZINC13560278 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264255 CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C34H37N3O/c1-34(21-25-35(26-22-34)33(38)32-18-10-12-27-11-8-9-17-31(27)32)36-23-19-30(20-24-36)37(28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-18,30H,19-26H2,1H3 CWHJFZWERDLNIU-UHFFFAOYSA-N 50143754 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-naphthalen-1-yl-methanone::CHEMBL59328 C-C chemokine receptor type 5 8.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008924 104032914 CHEMBL59328 ZINC13560296 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264256 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Cl)cc1 InChI=1S/C26H34ClN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3 AQZFFMQBFOQLGR-UHFFFAOYSA-N 50143761 CHEMBL61466::[4-(4-Chloro-phenylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 25.7 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143761&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008908 104032921 CHEMBL61466 ZINC13560281 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264257 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(cc1)C(F)(F)F InChI=1S/C27H34F3N3O/c1-19-5-4-6-20(2)24(19)25(34)32-17-13-26(3,14-18-32)33-15-11-23(12-16-33)31-22-9-7-21(8-10-22)27(28,29)30/h4-10,23,31H,11-18H2,1-3H3 ZWHIPXXJCJBHBG-UHFFFAOYSA-N 50143762 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromethyl-phenylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL58897 C-C chemokine receptor type 5 27.3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008909 104032922 CHEMBL58897 ZINC13560282 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264258 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H36N4O2/c1-23-13-22-33(36)24(2)29(23)30(35)32-20-14-25(15-21-32)31-18-16-28(17-19-31)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,22,25,28H,14-21H2,1-2H3 FBZSHCHGNUZBDT-UHFFFAOYSA-N 50143733 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58109 C-C chemokine receptor type 5 117 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008936 104032893 CHEMBL58109 ZINC13560306 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264259 CC1(CCN(CC1)C(=O)C1CCCCC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H41N3O/c1-30(19-23-31(24-20-30)29(34)25-11-5-2-6-12-25)32-21-17-28(18-22-32)33(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h3-4,7-10,13-16,25,28H,2,5-6,11-12,17-24H2,1H3 UYDAMKBCPBYUNY-UHFFFAOYSA-N 50143763 CHEMBL433635::Cyclohexyl-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone C-C chemokine receptor type 5 580 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143763&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008921 104032923 CHEMBL433635 ZINC13560293 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264260 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 AZSCGFLVNBRMKE-UHFFFAOYSA-N 50143741 (4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58004 C-C chemokine receptor type 5 13.3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008930 104032901 CHEMBL58004 ZINC03942459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264261 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3 NCDCQNWXYJMYAZ-UHFFFAOYSA-N 50143736 (2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,6-dimethylphenyl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL62152 C-C chemokine receptor type 5 0.7 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008917 104032896 CHEMBL62152 ZINC13560289 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264262 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc2ccn(C)c2c1 InChI=1S/C29H38N4O/c1-21-6-5-7-22(2)27(21)28(34)32-18-13-29(3,14-19-32)33-16-11-24(12-17-33)30-25-9-8-23-10-15-31(4)26(23)20-25/h5-10,15,20,24,30H,11-14,16-19H2,1-4H3 NKKVEHXLRJSJIK-UHFFFAOYSA-N 50143742 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-indol-6-ylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL60279 C-C chemokine receptor type 5 91 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143742&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008912 104032902 CHEMBL60279 ZINC13560285 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264263 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3 NCDCQNWXYJMYAZ-UHFFFAOYSA-N 50143736 (2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,6-dimethylphenyl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL62152 C-C chemokine receptor type 5 15.3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008917 104032896 CHEMBL62152 ZINC13560289 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264264 Cc1ncnc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C29H35N5O/c1-22-28(23(2)31-21-30-22)29(35)33-19-13-24(14-20-33)32-17-15-27(16-18-32)34(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,21,24,27H,13-20H2,1-2H3 QQVCTYISHLKPPR-UHFFFAOYSA-N 50143744 (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL59602 C-C chemokine receptor type 5 48 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008937 104032904 CHEMBL59602 ZINC13560305 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264265 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccccc1 InChI=1S/C36H41N5O/c1-27-33(28(2)38-34(37-27)29-13-7-4-8-14-29)35(42)39-25-21-36(3,22-26-39)40-23-19-32(20-24-40)41(30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-18,32H,19-26H2,1-3H3 NZFYIDWRHCRROY-UHFFFAOYSA-N 50143746 (4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61374 C-C chemokine receptor type 5 23 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008931 104032906 CHEMBL61374 ZINC29571854 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264266 Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H36N4O/c1-23-13-18-31-24(2)29(23)30(35)33-21-14-25(15-22-33)32-19-16-28(17-20-32)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,18,25,28H,14-17,19-22H2,1-2H3 CAQMZXXSQMJODK-UHFFFAOYSA-N 50143764 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61828 C-C chemokine receptor type 5 15.5 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008935 104032924 CHEMBL61828 ZINC13560304 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264267 Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3 KFQMAIZBNWWGPO-UHFFFAOYSA-N 50143757 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,4-dimethylpyridin-3-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL58387 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008927 104032917 CHEMBL58387 ZINC13560299 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264268 CC1(CCN(CC1)C(=O)c1cccc2[nH]ccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H36N4O/c1-32(18-23-34(24-19-32)31(37)29-13-8-14-30-28(29)15-20-33-30)35-21-16-27(17-22-35)36(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-15,20,27,33H,16-19,21-24H2,1H3 RYDKSVOIYJIUMD-UHFFFAOYSA-N 50143751 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(1H-indol-4-yl)-methanone::CHEMBL293900 C-C chemokine receptor type 5 102 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008925 104032911 CHEMBL293900 ZINC13560297 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264269 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3 KFDHCUNXEPNTLZ-UHFFFAOYSA-N 50143750 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL556314 C-C chemokine receptor type 5 3.4 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008929 104032910 CHEMBL556314 ZINC13560301 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264270 Cc1ccccc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H37N3O/c1-25-11-9-10-16-29(25)30(35)32-23-19-31(2,20-24-32)33-21-17-28(18-22-33)34(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-16,28H,17-24H2,1-2H3 ZWPAONRBGWEHFB-UHFFFAOYSA-N 50143760 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-o-tolyl-methanone::CHEMBL59101 C-C chemokine receptor type 5 67 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143760&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008918 104032920 CHEMBL59101 ZINC13560290 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264271 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccc(cc1)C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-13-20-38(40)26(2)31(25)32(39)35-21-16-33(3,17-22-35)36-18-14-30(15-19-36)37(29-7-5-4-6-8-29)24-28-11-9-27(23-34)10-12-28/h4-13,20,30H,14-19,21-22,24H2,1-3H3 AOWLRXYVDVTOJD-UHFFFAOYSA-N 50143737 4-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL58248 C-C chemokine receptor type 5 3.8 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008905 104032897 CHEMBL58248 ZINC13560278 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264272 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 AZSCGFLVNBRMKE-UHFFFAOYSA-N 50143741 (4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58004 C-C chemokine receptor type 5 24 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008930 104032901 CHEMBL58004 ZINC03942459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264273 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3 NCDCQNWXYJMYAZ-UHFFFAOYSA-N 50143736 (2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,6-dimethylphenyl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL62152 C-C chemokine receptor type 5 2.6 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008917 104032896 CHEMBL62152 ZINC13560289 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264274 CC1(CCN(CC1)C(=O)c1ccccc1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H35N3O/c1-30(19-23-31(24-20-30)29(34)25-11-5-2-6-12-25)32-21-17-28(18-22-32)33(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,28H,17-24H2,1H3 FMYPVSDFWPESIY-UHFFFAOYSA-N 50143738 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-phenyl-methanone::CHEMBL292894 C-C chemokine receptor type 5 453.0 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008919 104032898 CHEMBL292894 ZINC13560291 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264275 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc2ccn(C)c2c1 InChI=1S/C29H38N4O/c1-21-6-5-7-22(2)27(21)28(34)32-18-13-29(3,14-19-32)33-16-11-24(12-17-33)30-25-9-8-23-10-15-31(4)26(23)20-25/h5-10,15,20,24,30H,11-14,16-19H2,1-4H3 NKKVEHXLRJSJIK-UHFFFAOYSA-N 50143742 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-indol-6-ylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL60279 C-C chemokine receptor type 5 43 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143742&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008912 104032902 CHEMBL60279 ZINC13560285 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264276 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccccc1 InChI=1S/C36H41N5O/c1-27-33(28(2)38-34(37-27)29-13-7-4-8-14-29)35(42)39-25-21-36(3,22-26-39)40-23-19-32(20-24-40)41(30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-18,32H,19-26H2,1-3H3 NZFYIDWRHCRROY-UHFFFAOYSA-N 50143746 (4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61374 C-C chemokine receptor type 5 31 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008931 104032906 CHEMBL61374 ZINC29571854 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264277 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(cc1)C(F)(F)F InChI=1S/C27H34F3N3O/c1-19-5-4-6-20(2)24(19)25(34)32-17-13-26(3,14-18-32)33-15-11-23(12-16-33)31-22-9-7-21(8-10-22)27(28,29)30/h4-10,23,31H,11-18H2,1-3H3 ZWHIPXXJCJBHBG-UHFFFAOYSA-N 50143762 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromethyl-phenylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL58897 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008909 104032922 CHEMBL58897 ZINC13560282 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264278 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3 NCDCQNWXYJMYAZ-UHFFFAOYSA-N 50143736 (2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,6-dimethylphenyl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL62152 C-C chemokine receptor type 5 14.4 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008917 104032896 CHEMBL62152 ZINC13560289 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264279 CC1(CCN(CC1)C(=O)c1c(Cl)cccc1Cl)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H33Cl2N3O/c1-30(17-21-33(22-18-30)29(36)28-26(31)13-8-14-27(28)32)34-19-15-25(16-20-34)35(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,25H,15-22H2,1H3 UWQOQINSXNYULS-UHFFFAOYSA-N 50143735 (2,6-Dichloro-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58441 C-C chemokine receptor type 5 3.5 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008923 104032895 CHEMBL58441 ZINC13560295 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264280 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccccc1 InChI=1S/C36H41N5O/c1-27-33(28(2)38-34(37-27)29-13-7-4-8-14-29)35(42)39-25-21-36(3,22-26-39)40-23-19-32(20-24-40)41(30-15-9-5-10-16-30)31-17-11-6-12-18-31/h4-18,32H,19-26H2,1-3H3 NZFYIDWRHCRROY-UHFFFAOYSA-N 50143746 (4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61374 C-C chemokine receptor type 5 8.5 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008931 104032906 CHEMBL61374 ZINC29571854 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264281 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Br)cc1 InChI=1S/C26H34BrN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3 UWYRPZAYLGOTBK-UHFFFAOYSA-N 50104934 CHEMBL292625::[4-(4-Bromo-phenylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 2.2 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457871 104000731 CHEMBL292625 ZINC13560280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264282 CC1(CCN(CC1)C(=O)C1CCCCC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H41N3O/c1-30(19-23-31(24-20-30)29(34)25-11-5-2-6-12-25)32-21-17-28(18-22-32)33(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h3-4,7-10,13-16,25,28H,2,5-6,11-12,17-24H2,1H3 UYDAMKBCPBYUNY-UHFFFAOYSA-N 50143763 CHEMBL433635::Cyclohexyl-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone C-C chemokine receptor type 5 408 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143763&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008921 104032923 CHEMBL433635 ZINC13560293 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264283 Cc1ccccc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H37N3O/c1-25-11-9-10-16-29(25)30(35)32-23-19-31(2,20-24-32)33-21-17-28(18-22-33)34(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-16,28H,17-24H2,1-2H3 ZWPAONRBGWEHFB-UHFFFAOYSA-N 50143760 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-o-tolyl-methanone::CHEMBL59101 C-C chemokine receptor type 5 28.6 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143760&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008918 104032920 CHEMBL59101 ZINC13560290 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264284 COc1cccc(OC)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H39N3O3/c1-32(19-23-33(24-20-32)31(36)30-28(37-2)15-10-16-29(30)38-3)34-21-17-27(18-22-34)35(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-16,27H,17-24H2,1-3H3 MVNNBOOQUVZTLT-UHFFFAOYSA-N 50143765 (2,6-Dimethoxy-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58176 C-C chemokine receptor type 5 42 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143765&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008922 104032925 CHEMBL58176 ZINC13560294 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264285 CC1(CCN(CC1)C(=O)c1c[nH]c2ccccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H36N4O/c1-32(18-22-34(23-19-32)31(37)29-24-33-30-15-9-8-14-28(29)30)35-20-16-27(17-21-35)36(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,24,27,33H,16-23H2,1H3 ZDSRCGGVWAFNMR-UHFFFAOYSA-N 50143755 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(1H-indol-3-yl)-methanone::CHEMBL60711 C-C chemokine receptor type 5 283 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008926 104032915 CHEMBL60711 ZINC13560298 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264286 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1 InChI=1S/C33H40BrN3O/c1-25-8-7-9-26(2)31(25)32(38)35-22-18-33(3,19-23-35)36-20-16-30(17-21-36)37(24-27-10-5-4-6-11-27)29-14-12-28(34)13-15-29/h4-15,30H,16-24H2,1-3H3 LFWRQDJRCRSTSQ-UHFFFAOYSA-N 50143745 CHEMBL60225::{4-[Benzyl-(4-bromo-phenyl)-amino]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 2.3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008914 104032905 CHEMBL60225 ZINC26146180 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264287 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 AZSCGFLVNBRMKE-UHFFFAOYSA-N 50143741 (4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58004 C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008930 104032901 CHEMBL58004 ZINC03942459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264288 Cc1nc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1)-c1ccncc1 InChI=1S/C35H40N6O/c1-26-32(27(2)38-33(37-26)28-14-20-36-21-15-28)34(42)39-24-18-35(3,19-25-39)40-22-16-31(17-23-40)41(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-15,20-21,31H,16-19,22-25H2,1-3H3 IFESUQBEIVOUSO-UHFFFAOYSA-N 50143747 (4,6-Dimethyl-2-pyridin-4-yl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61373 C-C chemokine receptor type 5 24.6 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008932 104032907 CHEMBL61373 ZINC29571849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264225 Cc1ncnc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C29H35N5O/c1-22-28(23(2)31-21-30-22)29(35)33-19-13-24(14-20-33)32-17-15-27(16-18-32)34(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,21,24,27H,13-20H2,1-2H3 QQVCTYISHLKPPR-UHFFFAOYSA-N 50143744 (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL59602 C-C chemokine receptor type 5 8.2 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008937 104032904 CHEMBL59602 ZINC13560305 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264289 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 LXIQLCKAIYEIEH-UHFFFAOYSA-N 50143756 (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(4,6-dimethylpyrimidin-5-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL61424 C-C chemokine receptor type 5 7.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008928 104032916 CHEMBL61424 ZINC13560300 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264290 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1cccc2ccn(C)c12 InChI=1S/C29H38N4O/c1-21-7-5-8-22(2)26(21)28(34)32-19-14-29(3,15-20-32)33-17-12-24(13-18-33)30-25-10-6-9-23-11-16-31(4)27(23)25/h5-11,16,24,30H,12-15,17-20H2,1-4H3 VSXCLFPMMBCXQW-UHFFFAOYSA-N 50143759 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-indol-7-ylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL294271 C-C chemokine receptor type 5 2165 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143759&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008911 104032919 CHEMBL294271 ZINC13560284 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264291 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3 YFEPUDFZMYDTMF-UHFFFAOYSA-N 50143743 CHEMBL61536::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 14.9 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008902 104032903 CHEMBL61536 ZINC13560276 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264292 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1cccc2ccn(C)c12 InChI=1S/C29H38N4O/c1-21-7-5-8-22(2)26(21)28(34)32-19-14-29(3,15-20-32)33-17-12-24(13-18-33)30-25-10-6-9-23-11-16-31(4)27(23)25/h5-11,16,24,30H,12-15,17-20H2,1-4H3 VSXCLFPMMBCXQW-UHFFFAOYSA-N 50143759 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(1-methyl-1H-indol-7-ylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL294271 C-C chemokine receptor type 5 102 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143759&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008911 104032919 CHEMBL294271 ZINC13560284 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264293 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3 JBRPUKJNMGIQRP-UHFFFAOYSA-N 50143740 (4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone::CHEMBL301454::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 14.4 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008913 104032900 CHEMBL301454 ZINC13560286 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264294 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H37N3O/c1-24-10-9-11-25(2)30(24)31(35)33-22-16-26(17-23-33)32-20-18-29(19-21-32)34(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-15,26,29H,16-23H2,1-2H3 KWPAQVVTTPTSTI-UHFFFAOYSA-N 50143748 (2,6-Dimethyl-phenyl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58101 C-C chemokine receptor type 5 61 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008934 104032908 CHEMBL58101 ZINC13560303 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50267438 C[C@H]1CN(CCN1[C@@H](Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C33H40F3N5O/c1-23-21-40(32(4)14-16-39(17-15-32)31(42)30-24(2)37-22-38-25(30)3)18-19-41(23)29(20-26-8-6-5-7-9-26)27-10-12-28(13-11-27)33(34,35)36/h5-13,22-23,29H,14-21H2,1-4H3/t23-,29-/m0/s1 IOAZQBRQOPSGMR-IADCTJSHSA-N 50145681 (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-2-phenyl-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL79061 C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm0304515 10.7270/Q26W99H9 15115380 Tagat, JR; McCombie, SW; Nazareno, D; Labroli, MA; Xiao, Y; Steensma, RW; Strizki, JM; Baroudy, BM; Cox, K; Lachowicz, J; Varty, G; Watkins, R Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145681&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009354 104034370 CHEMBL79061 ZINC26479542 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264295 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H37N3O/c1-24-10-9-11-25(2)30(24)31(35)33-22-16-26(17-23-33)32-20-18-29(19-21-32)34(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-15,26,29H,16-23H2,1-2H3 KWPAQVVTTPTSTI-UHFFFAOYSA-N 50143748 (2,6-Dimethyl-phenyl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58101 C-C chemokine receptor type 5 11.1 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008934 104032908 CHEMBL58101 ZINC13560303 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264296 COc1cc(CN(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc[n+]([O-])c2C)c2ccccc2)cc(OC)c1OC InChI=1S/C35H46N4O5/c1-25-12-19-39(41)26(2)32(25)34(40)36-20-15-35(3,16-21-36)37-17-13-29(14-18-37)38(28-10-8-7-9-11-28)24-27-22-30(42-4)33(44-6)31(23-27)43-5/h7-12,19,22-23,29H,13-18,20-21,24H2,1-6H3 XNIKKAIOXIWPDI-UHFFFAOYSA-N 50143767 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4'-methyl-4-[phenyl-(3,4,5-trimethoxy-benzyl)-amino]-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL59358 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143767&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008906 104032927 CHEMBL59358 ZINC29568312 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264297 Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H36N4O/c1-23-13-18-31-24(2)29(23)30(35)33-21-14-25(15-22-33)32-19-16-28(17-20-32)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,18,25,28H,14-17,19-22H2,1-2H3 CAQMZXXSQMJODK-UHFFFAOYSA-N 50143764 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61828 C-C chemokine receptor type 5 7.4 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008935 104032924 CHEMBL61828 ZINC13560304 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264298 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Cl)cc1 InChI=1S/C26H34ClN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3 AQZFFMQBFOQLGR-UHFFFAOYSA-N 50143761 CHEMBL61466::[4-(4-Chloro-phenylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143761&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008908 104032921 CHEMBL61466 ZINC13560281 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264299 CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C34H37N3O/c1-34(21-25-35(26-22-34)33(38)32-18-10-12-27-11-8-9-17-31(27)32)36-23-19-30(20-24-36)37(28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-18,30H,19-26H2,1H3 CWHJFZWERDLNIU-UHFFFAOYSA-N 50143754 (4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-naphthalen-1-yl-methanone::CHEMBL59328 C-C chemokine receptor type 5 3.7 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008924 104032914 CHEMBL59328 ZINC13560296 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264300 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(cc1)C(F)(F)F InChI=1S/C27H34F3N3O/c1-19-5-4-6-20(2)24(19)25(34)32-17-13-26(3,14-18-32)33-15-11-23(12-16-33)31-22-9-7-21(8-10-22)27(28,29)30/h4-10,23,31H,11-18H2,1-3H3 ZWHIPXXJCJBHBG-UHFFFAOYSA-N 50143762 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromethyl-phenylamino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL58897 C-C chemokine receptor type 5 0.8 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008909 104032922 CHEMBL58897 ZINC13560282 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264301 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H36N4O2/c1-23-13-22-33(36)24(2)29(23)30(35)32-20-14-25(15-21-32)31-18-16-28(17-19-31)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,22,25,28H,14-21H2,1-2H3 FBZSHCHGNUZBDT-UHFFFAOYSA-N 50143733 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58109 C-C chemokine receptor type 5 127 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008936 104032893 CHEMBL58109 ZINC13560306 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264302 CN(C)C(=O)c1ccccc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C33H40N4O2/c1-33(20-24-35(25-21-33)32(39)30-17-11-10-16-29(30)31(38)34(2)3)36-22-18-28(19-23-36)37(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-17,28H,18-25H2,1-3H3 KLFXUVZSZBYWAP-UHFFFAOYSA-N 50143766 2-(4-Diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-carbonyl)-N,N-dimethyl-benzamide::CHEMBL304931 C-C chemokine receptor type 5 >100 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143766&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008920 104032926 CHEMBL304931 ZINC13560292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264303 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccccc1 InChI=1S/C26H35N3O/c1-20-8-7-9-21(2)24(20)25(30)28-18-14-26(3,15-19-28)29-16-12-23(13-17-29)27-22-10-5-4-6-11-22/h4-11,23,27H,12-19H2,1-3H3 MZQMHNMMAJJJCC-UHFFFAOYSA-N 50143768 (2,6-Dimethyl-phenyl)-(4'-methyl-4-phenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61465 C-C chemokine receptor type 5 100 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143768&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008907 104032928 CHEMBL61465 ZINC13560279 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264304 Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3 KFQMAIZBNWWGPO-UHFFFAOYSA-N 50143757 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,4-dimethylpyridin-3-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL58387 C-C chemokine receptor type 5 2.3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008927 104032917 CHEMBL58387 ZINC13560299 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264305 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3 YFEPUDFZMYDTMF-UHFFFAOYSA-N 50143743 CHEMBL61536::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008902 104032903 CHEMBL61536 ZINC13560276 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264306 Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H36N4O/c1-23-13-18-31-24(2)29(23)30(35)33-21-14-25(15-22-33)32-19-16-28(17-20-32)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,18,25,28H,14-17,19-22H2,1-2H3 CAQMZXXSQMJODK-UHFFFAOYSA-N 50143764 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL61828 C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008935 104032924 CHEMBL61828 ZINC13560304 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264307 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Br)cc1 InChI=1S/C26H34BrN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3 UWYRPZAYLGOTBK-UHFFFAOYSA-N 50104934 CHEMBL292625::[4-(4-Bromo-phenylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 0.5 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457871 104000731 CHEMBL292625 ZINC13560280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264308 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3 KFDHCUNXEPNTLZ-UHFFFAOYSA-N 50143750 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL556314 C-C chemokine receptor type 5 16 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008929 104032910 CHEMBL556314 ZINC13560301 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264309 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3 JBRPUKJNMGIQRP-UHFFFAOYSA-N 50143740 (4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone::CHEMBL301454::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008913 104032900 CHEMBL301454 ZINC13560286 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264310 CC1(CCN(CC1)C(=O)c1c(Cl)cccc1Cl)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H33Cl2N3O/c1-30(17-21-33(22-18-30)29(36)28-26(31)13-8-14-27(28)32)34-19-15-25(16-20-34)35(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,25H,15-22H2,1H3 UWQOQINSXNYULS-UHFFFAOYSA-N 50143735 (2,6-Dichloro-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58441 C-C chemokine receptor type 5 2.4 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008923 104032895 CHEMBL58441 ZINC13560295 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264311 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3 JBRPUKJNMGIQRP-UHFFFAOYSA-N 50143740 (4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone::CHEMBL301454::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 12.2 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008913 104032900 CHEMBL301454 ZINC13560286 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50264312 Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3 KFQMAIZBNWWGPO-UHFFFAOYSA-N 50143757 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,4-dimethylpyridin-3-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL58387 C-C chemokine receptor type 5 11 ChEMBL 10.1021/jm031046g 10.7270/Q2V12478 15055994 Thoma, G; Nuninger, F; Schaefer, M; Akyel, KG; Albert, R; Beerli, C; Bruns, C; Francotte, E; Luyten, M; MacKenzie, D; Oberer, L; Streiff, MB; Wagner, T; Walter, H; Weckbecker, G; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008927 104032917 CHEMBL58387 ZINC13560299 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50267453 CCC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C29H40F3N5O/c1-6-7-25(23-8-10-24(11-9-23)29(30,31)32)37-17-16-36(18-20(37)2)28(5)12-14-35(15-13-28)27(38)26-21(3)33-19-34-22(26)4/h8-11,19-20,25H,6-7,12-18H2,1-5H3/t20-,25-/m0/s1 AKVBPIBFLBXBAR-CPJSRVTESA-N 50145684 (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-butyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL432170 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm0304515 10.7270/Q26W99H9 15115380 Tagat, JR; McCombie, SW; Nazareno, D; Labroli, MA; Xiao, Y; Steensma, RW; Strizki, JM; Baroudy, BM; Cox, K; Lachowicz, J; Varty, G; Watkins, R Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145684&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009353 104034373 CHEMBL432170 ZINC22931162 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50267456 CC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O/c1-6-24(22-7-9-23(10-8-22)28(29,30)31)36-16-15-35(17-19(36)2)27(5)11-13-34(14-12-27)26(37)25-20(3)32-18-33-21(25)4/h7-10,18-19,24H,6,11-17H2,1-5H3/t19-,24-/m0/s1 BQIFXNSKBXZEIQ-CYFREDJKSA-N 50145682 (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-propyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL263555 C-C chemokine receptor type 5 5.2 ChEMBL 10.1021/jm0304515 10.7270/Q26W99H9 15115380 Tagat, JR; McCombie, SW; Nazareno, D; Labroli, MA; Xiao, Y; Steensma, RW; Strizki, JM; Baroudy, BM; Cox, K; Lachowicz, J; Varty, G; Watkins, R Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145682&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009352 104034371 CHEMBL263555 ZINC26484109 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50267458 C[C@H]1CN(CCN1[C@@H](CC1CC1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C30H40F3N5O/c1-20-18-37(29(4)11-13-36(14-12-29)28(39)27-21(2)34-19-35-22(27)3)15-16-38(20)26(17-23-5-6-23)24-7-9-25(10-8-24)30(31,32)33/h7-10,19-20,23,26H,5-6,11-18H2,1-4H3/t20-,26-/m0/s1 JBVORPHTFJNKFO-FNZWTVRRSA-N 50145686 (4-{(S)-4-[(S)-2-Cyclopropyl-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL312344 C-C chemokine receptor type 5 1.6 ChEMBL 10.1021/jm0304515 10.7270/Q26W99H9 15115380 Tagat, JR; McCombie, SW; Nazareno, D; Labroli, MA; Xiao, Y; Steensma, RW; Strizki, JM; Baroudy, BM; Cox, K; Lachowicz, J; Varty, G; Watkins, R Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145686&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009356 104034375 CHEMBL312344 ZINC26466845 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50267459 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1 CNPVJJQCETWNEU-CYFREDJKSA-N 50145685 (4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL82301 C-C chemokine receptor type 5 2.5 ChEMBL 10.1021/jm0304515 10.7270/Q26W99H9 15115380 Tagat, JR; McCombie, SW; Nazareno, D; Labroli, MA; Xiao, Y; Steensma, RW; Strizki, JM; Baroudy, BM; Cox, K; Lachowicz, J; Varty, G; Watkins, R Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009355 104034374 CHEMBL82301 807 ZINC22010579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50267461 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1 HMBFXHIQISYDKM-RXVVDRJESA-N 50123435 (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL311795 C-C chemokine receptor type 5 2.8 ChEMBL 10.1021/jm0304515 10.7270/Q26W99H9 15115380 Tagat, JR; McCombie, SW; Nazareno, D; Labroli, MA; Xiao, Y; Steensma, RW; Strizki, JM; Baroudy, BM; Cox, K; Lachowicz, J; Varty, G; Watkins, R Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123435&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483747 104015944 CHEMBL311795 ZINC22453986 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273093 CCN(C1CCN(CCC(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H42N2O4S/c1-3-35(33(36)39-26-28-13-7-4-8-14-28)31-20-23-34(24-21-31)22-19-30(29-15-9-5-10-16-29)25-27(2)40(37,38)32-17-11-6-12-18-32/h4-18,27,30-31H,3,19-26H2,1-2H3 DUHUSDFRRFGDLW-UHFFFAOYSA-N 50148674 CHEMBL121321::[1-(5-Benzenesulfonyl-3-phenyl-hexyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 8600 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148674&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483348 104036937 CHEMBL121321 ZINC27188270 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273094 C[C@@H](C[C@@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C34H41N3O6S/c1-3-21-36(34(38)43-26-28-14-16-32(17-15-28)37(39)40)31-19-23-35(24-20-31)22-18-30(29-10-6-4-7-11-29)25-27(2)44(41,42)33-12-8-5-9-13-33/h3-17,27,30-31H,1,18-26H2,2H3/t27-,30+/m0/s1 MEGVWTLKRYCWEG-BHBYDHKZSA-N 50148675 Allyl-[1-((3R,5S)-5-benzenesulfonyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL120204 C-C chemokine receptor type 5 10400 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148675&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483362 104036938 CHEMBL120204 ZINC27179478 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273095 CCN(C1CCN(CCC(C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H42N2O4S/c1-3-35(32(36)39-27-28-13-7-4-8-14-28)30-19-23-34(24-20-30)25-21-33(2,29-15-9-5-10-16-29)22-26-40(37,38)31-17-11-6-12-18-31/h4-18,30H,3,19-27H2,1-2H3 VEFHCOLQNWCREK-UHFFFAOYSA-N 50148676 CHEMBL331007::[1-(5-Benzenesulfonyl-3-methyl-3-phenyl-pentyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 24000 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148676&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483352 104036939 CHEMBL331007 ZINC27106540 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273096 CCS(=O)(=O)C(C)CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 InChI=1S/C30H41N3O6S/c1-4-18-32(30(34)39-23-25-11-13-29(14-12-25)33(35)36)28-16-20-31(21-17-28)19-15-27(26-9-7-6-8-10-26)22-24(3)40(37,38)5-2/h4,6-14,24,27-28H,1,5,15-23H2,2-3H3 JHWKNYKSZPWENW-UHFFFAOYSA-N 50148678 Allyl-[1-(5-ethanesulfonyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL120419 C-C chemokine receptor type 5 6000 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148678&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010251 104036941 CHEMBL120419 ZINC27109655 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273097 C[C@H](C[C@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C34H41N3O6S/c1-3-21-36(34(38)43-26-28-14-16-32(17-15-28)37(39)40)31-19-23-35(24-20-31)22-18-30(29-10-6-4-7-11-29)25-27(2)44(41,42)33-12-8-5-9-13-33/h3-17,27,30-31H,1,18-26H2,2H3/t27-,30+/m1/s1 MEGVWTLKRYCWEG-OFSOJUDTSA-N 50148679 Allyl-[1-((3S,5R)-5-benzenesulfonyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL402701 C-C chemokine receptor type 5 8400 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148679&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483364 104036942 CHEMBL402701 ZINC27110001 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273098 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(CCC(=O)c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C34H39N3O5/c1-2-22-36(34(39)42-26-27-13-16-32(17-14-27)37(40)41)31-20-24-35(25-21-31)23-19-29(28-9-5-3-6-10-28)15-18-33(38)30-11-7-4-8-12-30/h2-14,16-17,29,31H,1,15,18-26H2 WRGOVJUBIUQBCN-UHFFFAOYSA-N 50148680 Allyl-[1-(6-oxo-3,6-diphenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL118501 C-C chemokine receptor type 5 15000 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148680&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483360 104036943 CHEMBL118501 ZINC27110007 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273099 CC(C)(CC(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C36H45N3O6S/c1-5-23-38(34(40)45-27-29-16-18-32(19-17-29)39(41)42)31-20-24-37(25-21-31)26-22-36(4,30-12-8-6-9-13-30)28-35(2,3)46(43,44)33-14-10-7-11-15-33/h5-19,31H,1,20-28H2,2-4H3 AMVRDBMMKMRVFU-UHFFFAOYSA-N 50148681 Allyl-[1-(5-benzenesulfonyl-3,5-dimethyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL118544 C-C chemokine receptor type 5 11000 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148681&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483356 104036944 CHEMBL118544 ZINC27109353 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273100 CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)(CCS(=O)(=O)c1ccccc1)c1ccccc1 InChI=1S/C34H41N3O6S/c1-3-22-36(33(38)43-27-28-14-16-31(17-15-28)37(39)40)30-18-23-35(24-19-30)25-20-34(2,29-10-6-4-7-11-29)21-26-44(41,42)32-12-8-5-9-13-32/h3-17,30H,1,18-27H2,2H3 IOWSGHOCXOCOON-UHFFFAOYSA-N 50148682 Allyl-[1-(5-benzenesulfonyl-3-methyl-3-phenyl-pentyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL120584 C-C chemokine receptor type 5 4400 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148682&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483353 104036945 CHEMBL120584 ZINC27180654 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273101 CCN(C1CCN(CCC(C)(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C34H44N2O4S/c1-4-36(33(37)40-27-29-14-8-5-9-15-29)31-20-23-35(24-21-31)25-22-34(3,30-16-10-6-11-17-30)26-28(2)41(38,39)32-18-12-7-13-19-32/h5-19,28,31H,4,20-27H2,1-3H3 AYVFJDPITYUMTH-UHFFFAOYSA-N 50148684 CHEMBL118196::[1-(5-Benzenesulfonyl-3-methyl-3-phenyl-hexyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 6800 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148684&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483354 104036947 CHEMBL118196 ZINC27107754 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273102 CC(CC(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C35H43N3O6S/c1-4-22-37(34(39)44-27-29-15-17-32(18-16-29)38(40)41)31-19-23-36(24-20-31)25-21-35(3,30-11-7-5-8-12-30)26-28(2)45(42,43)33-13-9-6-10-14-33/h4-18,28,31H,1,19-27H2,2-3H3 CZYNCIXDZFOXDH-UHFFFAOYSA-N 50148686 Allyl-[1-(5-benzenesulfonyl-3-methyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL324284 C-C chemokine receptor type 5 3800 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148686&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483355 104036949 CHEMBL324284 ZINC27109347 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273103 CC(C)S(=O)(=O)C(C)CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 InChI=1S/C31H43N3O6S/c1-5-18-33(31(35)40-23-26-11-13-30(14-12-26)34(36)37)29-16-20-32(21-17-29)19-15-28(27-9-7-6-8-10-27)22-25(4)41(38,39)24(2)3/h5-14,24-25,28-29H,1,15-23H2,2-4H3 WNEBUYXXZNYOIF-UHFFFAOYSA-N 50148685 Allyl-{1-[3-phenyl-5-(propane-2-sulfonyl)-hexyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL332458 C-C chemokine receptor type 5 15000 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010252 104036948 CHEMBL332458 ZINC27187285 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273104 CC(CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(C)(=O)=O InChI=1S/C29H39N3O6S/c1-4-17-31(29(33)38-22-24-10-12-28(13-11-24)32(34)35)27-15-19-30(20-16-27)18-14-26(21-23(2)39(3,36)37)25-8-6-5-7-9-25/h4-13,23,26-27H,1,14-22H2,2-3H3 YGEMLJZSHJRCLM-UHFFFAOYSA-N 50148687 Allyl-[1-(5-methanesulfonyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL332908 C-C chemokine receptor type 5 6000 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148687&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010250 104036950 CHEMBL332908 ZINC27109860 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273105 CCC(CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C35H43N3O6S/c1-3-22-37(35(39)44-27-28-15-17-32(18-16-28)38(40)41)31-20-24-36(25-21-31)23-19-30(29-11-7-5-8-12-29)26-33(4-2)45(42,43)34-13-9-6-10-14-34/h3,5-18,30-31,33H,1,4,19-27H2,2H3 VADVJYSBKIRQSJ-UHFFFAOYSA-N 50148677 Allyl-[1-(5-benzenesulfonyl-3-phenyl-heptyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL331754 C-C chemokine receptor type 5 7200 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148677&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483351 104036940 CHEMBL331754 ZINC27109546 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273106 C[C@H](C[C@@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C34H41N3O6S/c1-3-21-36(34(38)43-26-28-14-16-32(17-15-28)37(39)40)31-19-23-35(24-20-31)22-18-30(29-10-6-4-7-11-29)25-27(2)44(41,42)33-12-8-5-9-13-33/h3-17,27,30-31H,1,18-26H2,2H3/t27-,30-/m1/s1 MEGVWTLKRYCWEG-POURPWNDSA-N 50148688 Allyl-[1-((3R,5R)-5-benzenesulfonyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL261935 C-C chemokine receptor type 5 2300 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148688&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483361 104036951 CHEMBL261935 ZINC27110003 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273107 CCC(CC(CCN1CCC(CC1)N(CC)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C34H44N2O4S/c1-3-32(41(38,39)33-18-12-7-13-19-33)26-30(29-16-10-6-11-17-29)20-23-35-24-21-31(22-25-35)36(4-2)34(37)40-27-28-14-8-5-9-15-28/h5-19,30-32H,3-4,20-27H2,1-2H3 LOLWRZCPZJOLKK-UHFFFAOYSA-N 50148689 CHEMBL120513::[1-(5-Benzenesulfonyl-3-phenyl-heptyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 88000 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148689&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483350 104036952 CHEMBL120513 ZINC27110091 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50273108 C[C@@H](C[C@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C34H41N3O6S/c1-3-21-36(34(38)43-26-28-14-16-32(17-15-28)37(39)40)31-19-23-35(24-20-31)22-18-30(29-10-6-4-7-11-29)25-27(2)44(41,42)33-12-8-5-9-13-33/h3-17,27,30-31H,1,18-26H2,2H3/t27-,30-/m0/s1 MEGVWTLKRYCWEG-FIBWVYCGSA-N 50148683 Allyl-[1-((3S,5S)-5-benzenesulfonyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL120569 C-C chemokine receptor type 5 3500 ChEMBL 10.1016/j.bmcl.2004.03.112 10.7270/Q20001KN 15177481 Shankaran, K; Donnelly, KL; Shah, SK; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; DeMartino, JA; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Kwei, G; Carella, A; Carver, G; Danzeisen, R; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148683&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483363 104036946 CHEMBL120569 ZINC27179912 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295074 CN(CC(C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C30H43N3O4S/c1-29(2,3)37-28(34)33-20-16-24-22-32(19-17-27(24)33)21-18-30(4,25-12-8-6-9-13-25)23-31(5)38(35,36)26-14-10-7-11-15-26/h6-15,24,27H,16-23H2,1-5H3 HGEYRNZLJKMQLY-UHFFFAOYSA-N 50160674 5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester::CHEMBL179141 C-C chemokine receptor type 5 >2000 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160674&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320582 104047153 CHEMBL179141 ZINC38152407 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295075 CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)21-23-35-22-20-31-28(25-35)18-19-32(37)36(31)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/m1/s1 MSTVZNMCSCYCDP-OKJCBAKCSA-N 50160675 CHEMBL361585::N-[(S)-4-(1-Benzyl-2-oxo-octahydro-[1,6]naphthyridin-6-yl)-2-methyl-2-phenyl-butyl]-N-methyl-benzenesulfonamide C-C chemokine receptor type 5 10 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160675&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275841 104047154 CHEMBL361585 ZINC38152412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295076 CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C30H43N3O4S/c1-29(2,3)37-28(34)33-20-16-24-22-32(19-17-27(24)33)21-18-30(4,25-12-8-6-9-13-25)23-31(5)38(35,36)26-14-10-7-11-15-26/h6-15,24,27H,16-23H2,1-5H3/t24?,27?,30-/m1/s1 HGEYRNZLJKMQLY-ROBZXWEHSA-N 50160677 5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester::CHEMBL360667 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160677&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275835 104047156 CHEMBL360667 ZINC33817449 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50285597 C[C@H]1CC(=O)[C@@H]2[C@H]1C[C@@]1(C)CC[C@]3(C)CC[C@@H]([C@H]3[C@@H]1C\C=C2\C=O)C(C)=C InChI=1S/C25H36O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,22-,23-,24-,25+/m0/s1 XAYQASOMEVLRKN-NOJNFTMQSA-N 50260106 CHEMBL519317::Variecolin C-C chemokine receptor type 5 9000 ChEMBL 10.1021/np049844c 10.7270/Q2DR2V8M 15497939 Yoganathan, K; Rossant, C; Glover, RP; Cao, S; Vittal, JJ; Ng, S; Huang, Y; Buss, AD; Butler, MS MerLion Pharmaceuticals Pte Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50260106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50260106&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6480205 104109960 66349 CHEMBL519317 ZINC34081011 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50285598 C[C@H]1C[C@@]2(O)OC\C3=C\C[C@H]4[C@@H]5[C@H](CC[C@@]5(C)CC[C@]4(C)C[C@@H]1[C@@H]23)C(C)=C InChI=1S/C25H38O2/c1-15(2)18-8-9-23(4)10-11-24(5)13-19-16(3)12-25(26)21(19)17(14-27-25)6-7-20(24)22(18)23/h6,16,18-22,26H,1,7-14H2,2-5H3/b17-6-/t16-,18+,19-,20-,21-,22-,23-,24+,25+/m0/s1 KKLLBIFNYVWKON-HYWMTKJFSA-N 50260107 CHEMBL484427::Variecolol C-C chemokine receptor type 5 32000 ChEMBL 10.1021/np049844c 10.7270/Q2DR2V8M 15497939 Yoganathan, K; Rossant, C; Glover, RP; Cao, S; Vittal, JJ; Ng, S; Huang, Y; Buss, AD; Butler, MS MerLion Pharmaceuticals Pte Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50260107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50260107&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6480206 104109961 CHEMBL484427 ZINC34081014 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282726 COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1 XGNLXIVLBLLTIG-QOSQHBAVSA-N 50153762 3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL359986::CHEMBL366260 C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395386 104041513 CHEMBL366260CHEMBL359986 ZINC28393692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282727 COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1 XGNLXIVLBLLTIG-QOSQHBAVSA-N 50153762 3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL359986::CHEMBL366260 C-C chemokine receptor type 5 5500 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395386 104041513 CHEMBL366260CHEMBL359986 ZINC28393692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282728 CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1 BJDMHAYLPGRUFH-APMZFVCMSA-N 50153764 (Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)cyclopropyl)-1-oxopropan-2-yl 3-(3,4-dihydroxyphenyl)acrylate::3-(4-Hydroxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL363999 C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395365 104041515 CHEMBL363999 ZINC28455808 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282729 CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1 BJDMHAYLPGRUFH-APMZFVCMSA-N 50153764 (Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)cyclopropyl)-1-oxopropan-2-yl 3-(3,4-dihydroxyphenyl)acrylate::3-(4-Hydroxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL363999 C-C chemokine receptor type 5 10000 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395365 104041515 CHEMBL363999 ZINC28455808 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282730 CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1 BJDMHAYLPGRUFH-APMZFVCMSA-N 50153764 (Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)cyclopropyl)-1-oxopropan-2-yl 3-(3,4-dihydroxyphenyl)acrylate::3-(4-Hydroxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL363999 C-C chemokine receptor type 5 7200 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395365 104041515 CHEMBL363999 ZINC28455808 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282731 COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1 XGNLXIVLBLLTIG-QOSQHBAVSA-N 50153762 3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL359986::CHEMBL366260 C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395386 104041513 CHEMBL366260CHEMBL359986 ZINC28393692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282732 COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1 XGNLXIVLBLLTIG-QOSQHBAVSA-N 50153762 3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL359986::CHEMBL366260 C-C chemokine receptor type 5 8800.0 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395386 104041513 CHEMBL366260CHEMBL359986 ZINC28393692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282733 COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1 XGNLXIVLBLLTIG-QOSQHBAVSA-N 50153762 3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL359986::CHEMBL366260 C-C chemokine receptor type 5 8700.0 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395386 104041513 CHEMBL366260CHEMBL359986 ZINC28393692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50282734 COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1 XGNLXIVLBLLTIG-QOSQHBAVSA-N 50153762 3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S)-hydroxy-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-cyclopropyl}-1-methyl-2-oxo-ethyl ester::CHEMBL359986::CHEMBL366260 C-C chemokine receptor type 5 6000 ChEMBL 10.1016/j.bmcl.2004.08.021 10.7270/Q2SJ1K31 15454223 Hegde, VR; Pu, H; Patel, M; Das, PR; Strizki, J; Gullo, VP; Chou, CC; Buevich, AV; Chan, TM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50153762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50153762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44395386 104041513 CHEMBL366260CHEMBL359986 ZINC28393692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288504 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(c1)C#N InChI=1S/C29H32N4O/c1-32(29(34)31-26-14-8-9-23(21-26)22-30)27-15-18-33(19-16-27)20-17-28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,27-28H,15-20H2,1H3,(H,31,34) BBKRNDDRYCWYAA-UHFFFAOYSA-N 50156968 3-(3-Cyano-phenyl)-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-methyl-urea::CHEMBL425168 C-C chemokine receptor type 5 4900 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156968&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392104 104043990 CHEMBL425168 ZINC28347645 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288505 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc(OC)cc1 InChI=1S/C31H39N3O2/c1-3-34(31(35)32-24-25-14-16-29(36-2)17-15-25)28-18-21-33(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3,(H,32,35) SIVWWYCIHYHYOX-UHFFFAOYSA-N 50156969 1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(4-methoxy-benzyl)-urea::CHEMBL182780 C-C chemokine receptor type 5 42 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156969&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392253 104043991 CHEMBL182780 ZINC28347912 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288506 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)-c1ccccc1 InChI=1S/C35H38N2O/c1-36(35(38)27-28-17-19-30(20-18-28)29-11-5-2-6-12-29)33-21-24-37(25-22-33)26-23-34(31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,33-34H,21-27H2,1H3 ZLEKVAHXZAYTIM-UHFFFAOYSA-N 50156971 2-Biphenyl-4-yl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL179950 C-C chemokine receptor type 5 2300 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392093 104043993 CHEMBL179950 ZINC28337881 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288507 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 InChI=1S/C31H35F3N2O2/c1-2-36(30(37)23-24-13-15-28(16-14-24)38-31(32,33)34)27-17-20-35(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,2,17-23H2,1H3 XYYNLEJRRLRZEI-UHFFFAOYSA-N 50156970 CHEMBL182817::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-ethyl-2-(4-trifluoromethoxy-phenyl)-acetamide C-C chemokine receptor type 5 310 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156970&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392142 104043992 CHEMBL182817 ZINC28357042 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288508 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(Cl)cc1Cl InChI=1S/C29H32Cl2N2O/c1-32(29(34)20-24-12-13-25(30)21-28(24)31)26-14-17-33(18-15-26)19-16-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,21,26-27H,14-20H2,1H3 WXCCCZGVJYPGEP-UHFFFAOYSA-N 50156973 2-(2,4-Dichloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL183875 C-C chemokine receptor type 5 2600 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156973&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392132 104043995 CHEMBL183875 ZINC28352592 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288509 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 InChI=1S/C30H33F3N2O2/c1-34(29(36)22-23-12-14-27(15-13-23)37-30(31,32)33)26-16-19-35(20-17-26)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,28H,16-22H2,1H3 GYPFAEWXVYDPLO-UHFFFAOYSA-N 50156972 CHEMBL182684::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-(4-trifluoromethoxy-phenyl)-acetamide C-C chemokine receptor type 5 290 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156972&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392117 104043994 CHEMBL182684 ZINC28352300 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288510 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1 InChI=1S/C30H37N3O/c1-2-33(30(34)31-24-25-12-6-3-7-13-25)28-18-21-32(22-19-28)23-20-29(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,28-29H,2,18-24H2,1H3,(H,31,34) SIVKXCGNYRNTBX-UHFFFAOYSA-N 50156974 3-Benzyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-ethyl-urea::3-benzyl-1-(1-(3,3-diphenylpropyl)piperidin-4-yl)-1-ethylurea::CHEMBL180184 C-C chemokine receptor type 5 62 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156974&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392244 104043996 CHEMBL180184 ZINC28333287 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288511 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(C)cc1 InChI=1S/C30H37N3O/c1-3-33(30(34)31-27-16-14-24(2)15-17-27)28-18-21-32(22-19-28)23-20-29(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-17,28-29H,3,18-23H2,1-2H3,(H,31,34) NRTISXVABIPZBU-UHFFFAOYSA-N 50156975 1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-p-tolyl-urea::CHEMBL426250 C-C chemokine receptor type 5 320 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156975&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392213 104043997 CHEMBL426250 ZINC28356084 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288512 COc1cc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 InChI=1S/C31H38N2O3/c1-32(31(34)22-24-20-28(35-2)23-29(21-24)36-3)27-14-17-33(18-15-27)19-16-30(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,20-21,23,27,30H,14-19,22H2,1-3H3 BSFZNSGCHHTBRI-UHFFFAOYSA-N 50156976 2-(3,5-Dimethoxy-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL182010 C-C chemokine receptor type 5 2700 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156976&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392136 104043998 CHEMBL182010 ZINC28356021 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288513 CC(C(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 InChI=1S/C30H36N2O/c1-24(25-12-6-3-7-13-25)30(33)31(2)28-18-21-32(22-19-28)23-20-29(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24,28-29H,18-23H2,1-2H3 BQBLVXRALWABEM-UHFFFAOYSA-N 50156979 CHEMBL362168::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-phenyl-propionamide C-C chemokine receptor type 5 6800 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392160 104044001 CHEMBL362168 ZINC28131647 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288514 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccccc1 InChI=1S/C29H34N2O/c1-30(29(32)23-24-11-5-2-6-12-24)27-17-20-31(21-18-27)22-19-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27-28H,17-23H2,1H3 HTMHLBGJBTZBCX-UHFFFAOYSA-N 50156977 CHEMBL367586::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-phenyl-acetamide C-C chemokine receptor type 5 770 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392123 104043999 CHEMBL367586 ZINC28351643 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288516 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O InChI=1S/C29H33N3O3/c1-30(29(33)22-23-12-14-27(15-13-23)32(34)35)26-16-19-31(20-17-26)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,28H,16-22H2,1H3 WMOPUADGYOHMKI-UHFFFAOYSA-N 50156980 CHEMBL360044::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-(4-nitro-phenyl)-acetamide C-C chemokine receptor type 5 150 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392130 104044002 CHEMBL360044 ZINC28351930 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288517 COC(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C31H36N2O3/c1-32(30(34)23-24-13-15-27(16-14-24)31(35)36-2)28-17-20-33(21-18-28)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,28-29H,17-23H2,1-2H3 DNKDGXQNAHLZOH-UHFFFAOYSA-N 50156981 4-({[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-methyl-carbamoyl}-methyl)-benzoic acid methyl ester::CHEMBL182731 C-C chemokine receptor type 5 630 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156981&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392103 104044003 CHEMBL182731 ZINC28347638 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288518 COc1ccc(CNC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C32H39N3O2/c1-3-21-35(32(36)33-25-26-14-16-30(37-2)17-15-26)29-18-22-34(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3,(H,33,36) JNJVLJAMVUUPMQ-UHFFFAOYSA-N 50156982 1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-(4-methoxy-benzyl)-urea::CHEMBL181858 C-C chemokine receptor type 5 110 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156982&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392220 104044004 CHEMBL181858 ZINC28356225 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288519 COc1cc(OC)c(OC)cc1CC(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 InChI=1S/C32H40N2O4/c1-33(32(35)22-26-21-30(37-3)31(38-4)23-29(26)36-2)27-15-18-34(19-16-27)20-17-28(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-14,21,23,27-28H,15-20,22H2,1-4H3 WKSITDKVPYKIGT-UHFFFAOYSA-N 50156983 CHEMBL427144::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-(2,4,5-trimethoxy-phenyl)-acetamide C-C chemokine receptor type 5 1100 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156983&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392147 104044005 CHEMBL427144 ZINC28356613 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288520 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(NC(C)=O)cc1 InChI=1S/C31H37N3O2/c1-24(35)32-28-15-13-25(14-16-28)23-31(36)33(2)29-17-20-34(21-18-29)22-19-30(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-16,29-30H,17-23H2,1-2H3,(H,32,35) HYIPAFGYQGEMML-UHFFFAOYSA-N 50156984 2-(4-Acetylamino-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL182878 C-C chemokine receptor type 5 680.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156984&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392148 104044006 CHEMBL182878 ZINC28357393 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288522 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NC(C)c1ccccc1 InChI=1S/C31H39N3O/c1-3-34(31(35)32-25(2)26-13-7-4-8-14-26)29-19-22-33(23-20-29)24-21-30(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,25,29-30H,3,19-24H2,1-2H3,(H,32,35) YCMJGYHFHDNSFN-UHFFFAOYSA-N 50156985 1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(1-phenyl-ethyl)-urea::CHEMBL183746 C-C chemokine receptor type 5 5400 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156985&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392258 104044007 CHEMBL183746 ZINC28350297 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288523 COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C30H36N2O2/c1-31(30(33)23-24-13-15-28(34-2)16-14-24)27-17-20-32(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,17-23H2,1-2H3 HCYKOFOJMYGBBC-UHFFFAOYSA-N 50156987 CHEMBL180498::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2-(4-methoxy-phenyl)-N-methyl-acetamide C-C chemokine receptor type 5 580 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156987&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392110 104044009 CHEMBL180498 ZINC28339520 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288527 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)CC(C)(C)C InChI=1S/C27H38N2O/c1-27(2,3)21-26(30)28(4)24-15-18-29(19-16-24)20-17-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,24-25H,15-21H2,1-4H3 AJPBIERWPWHRHF-UHFFFAOYSA-N 50156991 CHEMBL427137::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-3,3,N-trimethyl-butyramide C-C chemokine receptor type 5 5500 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156991&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392109 104044013 CHEMBL427137 ZINC28338772 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288528 CN(C)S(=O)(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C31H39N3O3S/c1-32(2)38(36,37)29-16-14-25(15-17-29)24-31(35)33(3)28-18-21-34(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,18-24H2,1-3H3 LGQDXGCNJDTICW-UHFFFAOYSA-N 50156989 2-(4-Dimethylsulfamoyl-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL179858 C-C chemokine receptor type 5 46 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156989&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392088 104044011 CHEMBL179858 ZINC28336938 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288529 [O-][N+](=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C31H35N3O3/c35-31(23-24-11-13-29(14-12-24)34(36)37)33(27-15-16-27)28-17-20-32(21-18-28)22-19-30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,27-28,30H,15-23H2 LHMMMGAFFFXLDU-UHFFFAOYSA-N 50156992 CHEMBL182929::N-Cyclopropyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-nitro-phenyl)-acetamide C-C chemokine receptor type 5 310 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156992&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392149 104044014 CHEMBL182929 ZINC28357402 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288530 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)c1cccs1 InChI=1S/C26H30N2OS/c1-27(26(29)25-13-8-20-30-25)23-14-17-28(18-15-23)19-16-24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-13,20,23-24H,14-19H2,1H3 NSUPEERZFKQLDQ-UHFFFAOYSA-N 50156993 CHEMBL181260::Thiophene-2-carboxylic acid [1-(3,3-diphenyl-propyl)-piperidin-4-yl]-methyl-amide C-C chemokine receptor type 5 8700.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156993&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392078 104044015 CHEMBL181260 ZINC28335034 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288524 CSc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C30H36N2OS/c1-31(30(33)23-24-13-15-28(34-2)16-14-24)27-17-20-32(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,17-23H2,1-2H3 MZZDXMGTWNXCBS-UHFFFAOYSA-N 50156986 CHEMBL183409::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-(4-methylsulfanyl-phenyl)-acetamide C-C chemokine receptor type 5 560.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392204 104044008 CHEMBL183409 ZINC28342712 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288525 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NC1CCCCC1 InChI=1S/C28H39N3O/c1-30(28(32)29-25-15-9-4-10-16-25)26-17-20-31(21-18-26)22-19-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14,25-27H,4,9-10,15-22H2,1H3,(H,29,32) SGPYFZMLSCRVSX-UHFFFAOYSA-N 50156988 3-Cyclohexyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-methyl-urea::CHEMBL361444 C-C chemokine receptor type 5 1800 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156988&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392211 104044010 CHEMBL361444 ZINC28356068 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288526 C=CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1 InChI=1S/C30H35N3O/c1-2-21-33(30(34)31-27-16-10-5-11-17-27)28-18-22-32(23-19-28)24-20-29(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h2-17,28-29H,1,18-24H2,(H,31,34) GQOOTJLFAHNWHQ-UHFFFAOYSA-N 50156990 1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-phenyl-urea::CHEMBL183492 C-C chemokine receptor type 5 2100 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156990&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392131 104044012 CHEMBL183492 ZINC28352575 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288531 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccccc1Cl InChI=1S/C29H33ClN2O/c1-31(29(33)22-25-14-8-9-15-28(25)30)26-16-19-32(20-17-26)21-18-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,26-27H,16-22H2,1H3 NDKWEXVDHQLTEB-UHFFFAOYSA-N 50156994 2-(2-Chloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL183553 C-C chemokine receptor type 5 3600 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156994&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392082 104044016 CHEMBL183553 ZINC28347318 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288532 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(Cl)cc1 InChI=1S/C29H33ClN2O/c1-31(29(33)22-23-12-14-26(30)15-13-23)27-16-19-32(20-17-27)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,27-28H,16-22H2,1H3 LOZXEVKVWUWSBV-UHFFFAOYSA-N 50156995 2-(4-Chloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL183293 C-C chemokine receptor type 5 800 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156995&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392105 104044017 CHEMBL183293 ZINC28348305 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288533 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)c1ccco1 InChI=1S/C26H30N2O2/c1-27(26(29)25-13-8-20-30-25)23-14-17-28(18-15-23)19-16-24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-13,20,23-24H,14-19H2,1H3 BJNSLQHOLJZNSV-UHFFFAOYSA-N 50156997 CHEMBL362388::Furan-2-carboxylic acid [1-(3,3-diphenyl-propyl)-piperidin-4-yl]-methyl-amide C-C chemokine receptor type 5 7900 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156997&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392095 104044019 CHEMBL362388 ZINC28338687 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288534 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)C#N InChI=1S/C30H33N3O/c1-32(30(34)22-24-12-14-25(23-31)15-13-24)28-16-19-33(20-17-28)21-18-29(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,28-29H,16-22H2,1H3 WPJMOEYNICQLQA-UHFFFAOYSA-N 50156998 2-(4-Cyano-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL180656 C-C chemokine receptor type 5 60 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156998&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392161 104044020 CHEMBL180656 ZINC28131652 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288535 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(F)cc1 InChI=1S/C29H33FN2O/c1-31(29(33)22-23-12-14-26(30)15-13-23)27-16-19-32(20-17-27)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,27-28H,16-22H2,1H3 ULIOFFVUEAORCD-UHFFFAOYSA-N 50156999 CHEMBL180334::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2-(4-fluoro-phenyl)-N-methyl-acetamide C-C chemokine receptor type 5 660.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156999&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392169 104044021 CHEMBL180334 ZINC28339473 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288536 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(OCc2ccccc2)cc1 InChI=1S/C36H40N2O2/c1-37(36(39)27-29-17-19-34(20-18-29)40-28-30-11-5-2-6-12-30)33-21-24-38(25-22-33)26-23-35(31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,33,35H,21-28H2,1H3 QFLYWGKASFLQGC-UHFFFAOYSA-N 50156996 2-(4-Benzyloxy-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL183554 C-C chemokine receptor type 5 3500 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156996&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392083 104044018 CHEMBL183554 ZINC28347326 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288537 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)c1ccc(F)cc1 InChI=1S/C28H31FN2O/c1-30(28(32)24-12-14-25(29)15-13-24)26-16-19-31(20-17-26)21-18-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27H,16-21H2,1H3 RXHQMKRGTPDDSJ-UHFFFAOYSA-N 50157001 CHEMBL183907::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-4-fluoro-N-methyl-benzamide C-C chemokine receptor type 5 7200 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157001&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392154 104044023 CHEMBL183907 ZINC28347215 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288538 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1cccc(C)c1 InChI=1S/C31H39N3O/c1-3-34(31(35)32-24-26-12-10-11-25(2)23-26)29-17-20-33(21-18-29)22-19-30(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,23,29-30H,3,17-22,24H2,1-2H3,(H,32,35) DUZJAHDJMLCDSP-UHFFFAOYSA-N 50157002 1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(3-methyl-benzyl)-urea::CHEMBL182940 C-C chemokine receptor type 5 35 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157002&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392235 104044024 CHEMBL182940 ZINC28346647 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288539 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1cccc(Cl)c1 InChI=1S/C29H33ClN2O/c1-31(29(33)22-23-9-8-14-26(30)21-23)27-15-18-32(19-16-27)20-17-28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,27-28H,15-20,22H2,1H3 GZKCRVMZZLNDEK-UHFFFAOYSA-N 50157005 2-(3-Chloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL180095 C-C chemokine receptor type 5 2200 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157005&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392092 104044027 CHEMBL180095 ZINC28336988 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288540 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)C#N InChI=1S/C31H35N3O/c1-2-34(31(35)23-25-13-15-26(24-32)16-14-25)29-17-20-33(21-18-29)22-19-30(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-16,29-30H,2,17-23H2,1H3 VCGPLRYYPFNQSB-UHFFFAOYSA-N 50157004 2-(4-Cyano-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-ethyl-acetamide::CHEMBL182279 C-C chemokine receptor type 5 66.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157004&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392153 104044026 CHEMBL182279 ZINC28347207 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288541 NS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C31H37N3O3S/c32-38(36,37)29-15-11-24(12-16-29)23-31(35)34(27-13-14-27)28-17-20-33(21-18-28)22-19-30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-12,15-16,27-28,30H,13-14,17-23H2,(H2,32,36,37) YJRLICAQXVFUMC-UHFFFAOYSA-N 50157003 CHEMBL369352::N-Cyclopropyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenyl)-acetamide C-C chemokine receptor type 5 33 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157003&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392125 104044025 CHEMBL369352 ZINC28352441 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288542 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H39N3O3S/c1-3-34(31(35)32-24-25-14-16-29(17-15-25)38(2,36)37)28-18-21-33(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3,(H,32,35) RDGUKBGMEDUEDL-UHFFFAOYSA-N 50157012 1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(4-methanesulfonyl-benzyl)-urea::CHEMBL182380 C-C chemokine receptor type 5 49 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157012&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392176 104044034 CHEMBL182380 ZINC28348184 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288543 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)C1CCC1 InChI=1S/C26H34N2O/c1-27(26(29)23-13-8-14-23)24-15-18-28(19-16-24)20-17-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,23-25H,8,13-20H2,1H3 HCQDGTHSLFFEBG-UHFFFAOYSA-N 50157011 CHEMBL181502::Cyclobutanecarboxylic acid [1-(3,3-diphenyl-propyl)-piperidin-4-yl]-methyl-amide C-C chemokine receptor type 5 7400 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157011&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392218 104044033 CHEMBL181502 ZINC28357065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288544 CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3 FVSFZNKZAWLBHE-UHFFFAOYSA-N 50157000 CHEMBL180155::N-Allyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-methanesulfonyl-phenyl)-acetamide::N-allyl-N-(1-(3,3-diphenylpropyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide C-C chemokine receptor type 5 37 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157000&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11421221 104044022 CHEMBL180155 ZINC28335027 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288545 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 InChI=1S/C28H32FN3O/c1-31(28(33)30-25-14-12-24(29)13-15-25)26-16-19-32(20-17-26)21-18-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27H,16-21H2,1H3,(H,30,33) PFSRLONRBMUWJU-UHFFFAOYSA-N 50157009 1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-3-(4-fluoro-phenyl)-1-methyl-urea::CHEMBL178477 C-C chemokine receptor type 5 190 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157009&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392159 104044031 CHEMBL178477 ZINC28131634 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288546 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(O)cc1 InChI=1S/C29H34N2O2/c1-30(29(33)22-23-12-14-27(32)15-13-23)26-16-19-31(20-17-26)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,28,32H,16-22H2,1H3 MIUDYUJMSXWQAH-UHFFFAOYSA-N 50157010 CHEMBL183709::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2-(4-hydroxy-phenyl)-N-methyl-acetamide C-C chemokine receptor type 5 470 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157010&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392114 104044032 CHEMBL183709 ZINC28351509 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288547 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)C(=O)c1ccccc1 InChI=1S/C29H32N2O2/c1-30(29(33)28(32)25-15-9-4-10-16-25)26-17-20-31(21-18-26)22-19-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26-27H,17-22H2,1H3 AOOVCNDFEQLFRU-UHFFFAOYSA-N 50157006 CHEMBL182403::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-oxo-2-phenyl-acetamide C-C chemokine receptor type 5 5900 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157006&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392135 104044028 CHEMBL182403 ZINC28356893 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288548 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(Cl)c(Cl)c1 InChI=1S/C29H32Cl2N2O/c1-32(29(34)21-22-12-13-27(30)28(31)20-22)25-14-17-33(18-15-25)19-16-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,20,25-26H,14-19,21H2,1H3 FNWDOGDBAZKOPX-UHFFFAOYSA-N 50157007 2-(3,4-Dichloro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL360120 C-C chemokine receptor type 5 780.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157007&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392116 104044029 CHEMBL360120 ZINC28352204 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288549 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F InChI=1S/C30H33F3N2O/c1-34(29(36)22-23-12-14-26(15-13-23)30(31,32)33)27-16-19-35(20-17-27)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,27-28H,16-22H2,1H3 CQIKMWIKOZJEIR-UHFFFAOYSA-N 50157008 CHEMBL360524::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-(4-trifluoromethyl-phenyl)-acetamide C-C chemokine receptor type 5 370 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157008&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392106 104044030 CHEMBL360524 ZINC28348312 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288550 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(F)c(F)c1 InChI=1S/C29H32F2N2O/c1-32(29(34)21-22-12-13-27(30)28(31)20-22)25-14-17-33(18-15-25)19-16-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,20,25-26H,14-19,21H2,1H3 SALUDWMGUWBALL-UHFFFAOYSA-N 50157014 2-(3,4-Difluoro-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL182274 C-C chemokine receptor type 5 690.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157014&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392084 104044036 CHEMBL182274 ZINC28347334 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288551 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccccc1 InChI=1S/C29H34N2O/c1-30(29(32)23-24-11-5-2-6-12-24)27-17-20-31(21-18-27)22-19-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27-28H,17-23H2,1H3 HTMHLBGJBTZBCX-UHFFFAOYSA-N 50156977 CHEMBL367586::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-phenyl-acetamide C-C chemokine receptor type 5 810.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392123 104043999 CHEMBL367586 ZINC28351643 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288552 Cc1cccc(CNC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1 InChI=1S/C32H39N3O/c1-3-20-35(32(36)33-25-27-12-10-11-26(2)24-27)30-17-21-34(22-18-30)23-19-31(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h3-16,24,30-31H,1,17-23,25H2,2H3,(H,33,36) ACQOHKAMPJYKEH-UHFFFAOYSA-N 50157015 1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-(3-methyl-benzyl)-urea::CHEMBL183261 C-C chemokine receptor type 5 240 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157015&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392196 104044037 CHEMBL183261 ZINC28351841 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288553 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)N1Cc2ccccc2C1=O InChI=1S/C30H33N3O2/c1-31(30(35)33-22-25-14-8-9-15-28(25)29(33)34)26-16-19-32(20-17-26)21-18-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,26-27H,16-22H2,1H3 VWNCBMHIFGAMEW-UHFFFAOYSA-N 50157017 1-Oxo-1,3-dihydro-isoindole-2-carboxylic acid [1-(3,3-diphenyl-propyl)-piperidin-4-yl]-methyl-amide::CHEMBL183885 C-C chemokine receptor type 5 4100 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157017&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392126 104044039 CHEMBL183885 ZINC28352447 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288554 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O InChI=1S/C30H35N3O3/c1-2-32(30(34)23-24-13-15-28(16-14-24)33(35)36)27-17-20-31(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,2,17-23H2,1H3 FPOGXYDWGZGUBR-UHFFFAOYSA-N 50157016 CHEMBL360106::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-ethyl-2-(4-nitro-phenyl)-acetamide C-C chemokine receptor type 5 110 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157016&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392111 104044038 CHEMBL360106 ZINC28339526 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288555 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1 InChI=1S/C29H35N3O/c1-31(29(33)30-23-24-11-5-2-6-12-24)27-17-20-32(21-18-27)22-19-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27-28H,17-23H2,1H3,(H,30,33) ISIRALASUBYCGQ-UHFFFAOYSA-N 50157018 3-Benzyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-methyl-urea::CHEMBL183406 C-C chemokine receptor type 5 100 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157018&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392229 104044040 CHEMBL183406 ZINC28346481 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288556 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1cccc(F)c1 InChI=1S/C29H33FN2O/c1-31(29(33)22-23-9-8-14-26(30)21-23)27-15-18-32(19-16-27)20-17-28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,27-28H,15-20,22H2,1H3 GCABBJYAUDBBBZ-UHFFFAOYSA-N 50157013 CHEMBL183514::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2-(3-fluoro-phenyl)-N-methyl-acetamide C-C chemokine receptor type 5 1400 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157013&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392155 104044035 CHEMBL183514 ZINC28347222 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288557 COc1cccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1 InChI=1S/C30H36N2O2/c1-31(30(33)23-24-10-9-15-28(22-24)34-2)27-16-19-32(20-17-27)21-18-29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-15,22,27,29H,16-21,23H2,1-2H3 ZHUCIVDCXATINW-UHFFFAOYSA-N 50157027 CHEMBL183769::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2-(3-methoxy-phenyl)-N-methyl-acetamide C-C chemokine receptor type 5 680.0 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157027&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392203 104044049 CHEMBL183769 ZINC28352513 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288558 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)c1cccc(c1)[N+]([O-])=O InChI=1S/C28H31N3O3/c1-29(28(32)24-13-8-14-26(21-24)31(33)34)25-15-18-30(19-16-25)20-17-27(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,21,25,27H,15-20H2,1H3 MNSMUFDWZBKPPP-UHFFFAOYSA-N 50157020 CHEMBL361414::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-3-nitro-benzamide C-C chemokine receptor type 5 5100 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157020&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392168 104044042 CHEMBL361414 ZINC28336281 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288559 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(Br)cc1 InChI=1S/C29H33BrN2O/c1-31(29(33)22-23-12-14-26(30)15-13-23)27-16-19-32(20-17-27)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,27-28H,16-22H2,1H3 RRXWHTHSPSWHTE-UHFFFAOYSA-N 50157021 2-(4-Bromo-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL180685 C-C chemokine receptor type 5 580 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157021&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392166 104044043 CHEMBL180685 ZINC28336266 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288560 FC(F)(F)Oc1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C32H35F3N2O2/c1-2-20-37(31(38)24-25-13-15-29(16-14-25)39-32(33,34)35)28-17-21-36(22-18-28)23-19-30(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h2-16,28,30H,1,17-24H2 BYQCEVRLNMCDGO-UHFFFAOYSA-N 50157025 CHEMBL182083::N-Allyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-trifluoromethoxy-phenyl)-acetamide C-C chemokine receptor type 5 350 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157025&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392162 104044047 CHEMBL182083 ZINC28131659 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288561 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(N)(=O)=O InChI=1S/C29H35N3O3S/c1-31(29(33)22-23-12-14-27(15-13-23)36(30,34)35)26-16-19-32(20-17-26)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,28H,16-22H2,1H3,(H2,30,34,35) XAWOJZLTWLRVIH-UHFFFAOYSA-N 50157023 CHEMBL181913::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-2-(4-sulfamoyl-phenyl)-acetamide C-C chemokine receptor type 5 91 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157023&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392074 104044045 CHEMBL181913 ZINC28357180 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288562 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)c1ccncc1 InChI=1S/C27H31N3O/c1-29(27(31)24-12-17-28-18-13-24)25-14-19-30(20-15-25)21-16-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,17-18,25-26H,14-16,19-21H2,1H3 VLRVMMFOZMLPTD-UHFFFAOYSA-N 50157022 CHEMBL182266::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-methyl-isonicotinamide C-C chemokine receptor type 5 6100 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157022&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9909684 104044044 CHEMBL182266 ZINC28356386 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288563 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccccc1F InChI=1S/C29H33FN2O/c1-31(29(33)22-25-14-8-9-15-28(25)30)26-16-19-32(20-17-26)21-18-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,26-27H,16-22H2,1H3 AQSZXJNAEASUOL-UHFFFAOYSA-N 50157024 CHEMBL182557::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2-(2-fluoro-phenyl)-N-methyl-acetamide C-C chemokine receptor type 5 1900 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157024&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392144 104044046 CHEMBL182557 ZINC28357192 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288565 CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C32H38N2O3S/c1-38(36,37)30-16-12-25(13-17-30)24-32(35)34(28-14-15-28)29-18-21-33(22-19-29)23-20-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-13,16-17,28-29,31H,14-15,18-24H2,1H3 YQBDDKXLWVVVHC-UHFFFAOYSA-N 50157026 CHEMBL182074::N-Cyclopropyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 51 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157026&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392137 104044048 CHEMBL182074 ZINC28356924 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288566 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H38N2O3S/c1-3-33(31(34)24-25-14-16-29(17-15-25)37(2,35)36)28-18-21-32(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3 FBCOMGDKGBJAAS-UHFFFAOYSA-N 50157032 CHEMBL369311::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 76 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157032&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392096 104044054 CHEMBL369311 ZINC28347472 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288567 COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1OC InChI=1S/C31H38N2O3/c1-32(31(34)23-24-14-15-29(35-2)30(22-24)36-3)27-16-19-33(20-17-27)21-18-28(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-15,22,27-28H,16-21,23H2,1-3H3 TZMIRXLCTZAZRD-UHFFFAOYSA-N 50157033 2-(3,4-Dimethoxy-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide::CHEMBL182682 C-C chemokine receptor type 5 650 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392124 104044055 CHEMBL182682 ZINC28351761 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288568 CC(C)CC(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 InChI=1S/C26H36N2O/c1-21(2)20-26(29)27(3)24-14-17-28(18-15-24)19-16-25(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21,24-25H,14-20H2,1-3H3 CEKHXWXLOIFWLF-UHFFFAOYSA-N 50157029 CHEMBL182234::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-3,N-dimethyl-butyramide C-C chemokine receptor type 5 3400 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157029&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392219 104044051 CHEMBL182234 ZINC28356218 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288569 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(C)c1 InChI=1S/C29H35N3O/c1-23-10-9-15-26(22-23)30-29(33)31(2)27-16-19-32(20-17-27)21-18-28(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-15,22,27-28H,16-21H2,1-2H3,(H,30,33) PESICCKSXOZJOA-UHFFFAOYSA-N 50157031 1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-methyl-3-m-tolyl-urea::CHEMBL183710 C-C chemokine receptor type 5 5900 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157031&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392115 104044053 CHEMBL183710 ZINC28351515 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288570 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(N)(=O)=O InChI=1S/C30H37N3O3S/c1-2-33(30(34)23-24-13-15-28(16-14-24)37(31,35)36)27-17-20-32(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,2,17-23H2,1H3,(H2,31,35,36) YOGWOSPRCUIBPH-UHFFFAOYSA-N 50157030 CHEMBL179877::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-ethyl-2-(4-sulfamoyl-phenyl)-acetamide C-C chemokine receptor type 5 38 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157030&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392167 104044052 CHEMBL179877 ZINC28336273 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288571 CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 InChI=1S/C28H31Cl2N3O/c1-32(28(34)31-23-12-13-26(29)27(30)20-23)24-14-17-33(18-15-24)19-16-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,20,24-25H,14-19H2,1H3,(H,31,34) JTMDMPALVWHPNS-UHFFFAOYSA-N 50157028 3-(3,4-Dichloro-phenyl)-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-methyl-urea::CHEMBL181967 C-C chemokine receptor type 5 370 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157028&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392143 104044050 CHEMBL181967 ZINC28357885 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50288572 [O-][N+](=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C31H35N3O3/c1-2-20-33(31(35)24-25-13-15-29(16-14-25)34(36)37)28-17-21-32(22-18-28)23-19-30(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h2-16,28,30H,1,17-24H2 AKEHDJQAUFRJKQ-UHFFFAOYSA-N 50157019 CHEMBL426960::N-Allyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-nitro-phenyl)-acetamide C-C chemokine receptor type 5 180 ChEMBL 10.1016/j.bmcl.2004.10.044 10.7270/Q2833RJJ 15582404 Burrows, JN; Cumming, JG; Fillery, SM; Hamlin, GA; Hudson, JA; Jackson, RJ; McLaughlin, S; Shaw, JS AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157019&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392094 104044041 CHEMBL426960 ZINC28337975 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295077 CN(C[C@@](C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C34H42N4O6S/c1-4-22-37(33(39)44-26-28-15-17-31(18-16-28)38(40)41)30-19-23-36(24-20-30)25-21-34(2,29-11-7-5-8-12-29)27-35(3)45(42,43)32-13-9-6-10-14-32/h4-18,30H,1,19-27H2,2-3H3/t34-/m1/s1 NNARXJVWUPPZIP-UUWRZZSWSA-N 50105510 Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester::CHEMBL93139 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105510&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002976 104001227 CHEMBL93139 ZINC03976619 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295078 C[C@@H]1[C@H](OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1 InChI=1S/C32H39N3O4S/c1-25-31(27-14-8-4-9-15-27)39-32(36)35(25)29-19-22-34(23-20-29)21-18-28(26-12-6-3-7-13-26)24-33(2)40(37,38)30-16-10-5-11-17-30/h3-17,25,28-29,31H,18-24H2,1-2H3/t25-,28-,31+/m1/s1 QVFTZVPVDAIMDC-DERQMEARSA-N 50160680 CHEMBL359687::N-Methyl-N-{(S)-4-[4-((R)-4-methyl-2-(R)-oxo-5-phenyl-oxazolidin-3-yl)-piperidin-1-yl]-2-phenyl-butyl}-benzenesulfonamide C-C chemokine receptor type 5 350 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160680&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275833 104047159 CHEMBL359687 ZINC28133645 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295079 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C32H41N3O4S/c1-3-35(32(36)39-26-27-13-7-4-8-14-27)30-20-23-34(24-21-30)22-19-29(28-15-9-5-10-16-28)25-33(2)40(37,38)31-17-11-6-12-18-31/h4-18,29-30H,3,19-26H2,1-2H3/t29-/m1/s1 ZXGGAWLLOZVQTA-GDLZYMKVSA-N 50104235 CHEMBL85086::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid benzyl ester C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104235&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275829 104000194 CHEMBL85086 ZINC26567668 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295080 CN(CC(C)(CCN1CCC2C(CCN2C(=O)OCc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H40N4O6S/c1-33(28-9-5-3-6-10-28,25-34(2)44(41,42)30-11-7-4-8-12-30)19-22-35-20-18-31-27(23-35)17-21-36(31)32(38)43-24-26-13-15-29(16-14-26)37(39)40/h3-16,27,31H,17-25H2,1-2H3 VVBADJZHQGVACD-UHFFFAOYSA-N 50160681 5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid 4-nitro-benzyl ester::CHEMBL179209 C-C chemokine receptor type 5 21.0 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160681&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320585 104047160 CHEMBL179209 ZINC38152408 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295081 CN(CC(C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C30H43N3O4S/c1-29(2,3)37-28(34)33-20-16-24-22-32(19-17-27(24)33)21-18-30(4,25-12-8-6-9-13-25)23-31(5)38(35,36)26-14-10-7-11-15-26/h6-15,24,27H,16-23H2,1-5H3 HGEYRNZLJKMQLY-UHFFFAOYSA-N 50160674 5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester::CHEMBL179141 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160674&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320582 104047153 CHEMBL179141 ZINC38152407 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295082 CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H41N3O4S/c1-33(29-14-8-4-9-15-29,26-34(2)41(38,39)30-16-10-5-11-17-30)20-23-35-21-19-31-28(24-35)18-22-36(31)32(37)40-25-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/m1/s1 HBMQRAUFUVCBQD-OKJCBAKCSA-N 50160683 5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid benzyl ester::CHEMBL180013 C-C chemokine receptor type 5 9 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160683&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275837 104047162 CHEMBL180013 ZINC38152419 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295083 CN(C[C@@H](CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H41N3O4S/c1-29(2,3)36-28(33)32-20-16-25-22-31(19-17-27(25)32)18-15-24(23-11-7-5-8-12-23)21-30(4)37(34,35)26-13-9-6-10-14-26/h5-14,24-25,27H,15-22H2,1-4H3/t24-,25?,27?/m1/s1 MRUDBBXMRPEBRY-VTRCLXOYSA-N 50160684 5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester::CHEMBL360522 C-C chemokine receptor type 5 16 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160684&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320581 104047163 CHEMBL360522 ZINC38152417 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295084 C[C@H]1[C@H](OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1 InChI=1S/C32H39N3O4S/c1-25-31(27-14-8-4-9-15-27)39-32(36)35(25)29-19-22-34(23-20-29)21-18-28(26-12-6-3-7-13-26)24-33(2)40(37,38)30-16-10-5-11-17-30/h3-17,25,28-29,31H,18-24H2,1-2H3/t25-,28+,31-/m0/s1 QVFTZVPVDAIMDC-AAUBNCJJSA-N 50160685 CHEMBL178337::N-Methyl-N-{(S)-4-[4-((R)-4-methyl-2-(S)-oxo-5-phenyl-oxazolidin-3-yl)-piperidin-1-yl]-2-phenyl-butyl}-benzenesulfonamide C-C chemokine receptor type 5 36.7 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275832 104047164 CHEMBL178337 ZINC28129336 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295085 CN(C[C@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H40N4O6S/c1-33(28-9-5-3-6-10-28,25-34(2)44(41,42)30-11-7-4-8-12-30)19-22-35-20-18-31-27(23-35)17-21-36(31)32(38)43-24-26-13-15-29(16-14-26)37(39)40/h3-16,27,31H,17-25H2,1-2H3/t27?,31?,33-/m0/s1 VVBADJZHQGVACD-ZTXRQEEXSA-N 50160678 5-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid 4-nitro-benzyl ester::CHEMBL178189 C-C chemokine receptor type 5 3.6 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160678&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44389412 104047157 CHEMBL178189 ZINC38152402 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295086 CN(CC(C)(CCN1CCC2C(CCN2C(=O)OCc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H40N4O6S/c1-33(28-9-5-3-6-10-28,25-34(2)44(41,42)30-11-7-4-8-12-30)19-22-35-20-18-31-27(23-35)17-21-36(31)32(38)43-24-26-13-15-29(16-14-26)37(39)40/h3-16,27,31H,17-25H2,1-2H3 VVBADJZHQGVACD-UHFFFAOYSA-N 50160681 5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid 4-nitro-benzyl ester::CHEMBL179209 C-C chemokine receptor type 5 21 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160681&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320585 104047160 CHEMBL179209 ZINC38152408 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295087 CN(C[C@@H](CCN1CCC(CC1)N1C[C@@H](OC1=O)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C31H37N3O4S/c1-32(39(36,37)29-15-9-4-10-16-29)23-27(25-11-5-2-6-12-25)17-20-33-21-18-28(19-22-33)34-24-30(38-31(34)35)26-13-7-3-8-14-26/h2-16,27-28,30H,17-24H2,1H3/t27-,30-/m1/s1 ZXOCLNODMLUZQA-POURPWNDSA-N 50160686 CHEMBL178319::N-Methyl-N-{(S)-4-[4-((S)-2-oxo-5-phenyl-oxazolidin-3-yl)-piperidin-1-yl]-2-phenyl-butyl}-benzenesulfonamide C-C chemokine receptor type 5 >100 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160686&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320580 104047165 CHEMBL178319 ZINC28129328 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295088 CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H40N4O5S/c1-33(28-9-5-3-6-10-28,25-34(2)43(41,42)30-11-7-4-8-12-30)20-22-35-21-19-31-27(24-35)15-18-32(38)36(31)23-26-13-16-29(17-14-26)37(39)40/h3-14,16-17,27,31H,15,18-25H2,1-2H3/t27?,31?,33-/m1/s1 IEDCJTYQQDVHAW-QOKKUKAESA-N 50160682 CHEMBL180274::N-Methyl-N-{(S)-2-methyl-4-[1-(4-nitro-benzyl)-2-oxo-octahydro-[1,6]naphthyridin-6-yl]-2-phenyl-butyl}-benzenesulfonamide C-C chemokine receptor type 5 5.3 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160682&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275842 104047161 CHEMBL180274 ZINC38152414 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295089 CN(C[C@@](C)(CCN1CCC2NCCC2C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C25H35N3O2S/c1-25(22-9-5-3-6-10-22,15-18-28-17-14-24-21(19-28)13-16-26-24)20-27(2)31(29,30)23-11-7-4-8-12-23/h3-12,21,24,26H,13-20H2,1-2H3/t21?,24?,25-/m1/s1 BGPCWZSXSNZJJJ-ZZVXHFGESA-N 50160687 CHEMBL362637::N-Methyl-N-[(S)-2-methyl-4-(octahydro-pyrrolo[3,2-c]pyridin-5-yl)-2-phenyl-butyl]-benzenesulfonamide C-C chemokine receptor type 5 >2000 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160687&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275836 104047166 CHEMBL362637 ZINC38321306 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295090 CN(C[C@@H](CCN1CCC(CC1)N1C[C@H](OC1=O)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C31H37N3O4S/c1-32(39(36,37)29-15-9-4-10-16-29)23-27(25-11-5-2-6-12-25)17-20-33-21-18-28(19-22-33)34-24-30(38-31(34)35)26-13-7-3-8-14-26/h2-16,27-28,30H,17-24H2,1H3/t27-,30+/m1/s1 ZXOCLNODMLUZQA-OFSOJUDTSA-N 50160688 CHEMBL359752::N-Methyl-N-{(S)-4-[4-((R)-2-oxo-5-phenyl-oxazolidin-3-yl)-piperidin-1-yl]-2-phenyl-butyl}-benzenesulfonamide C-C chemokine receptor type 5 31.9 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160688&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320579 104047167 CHEMBL359752 ZINC28128272 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295091 CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C27H37N3O3S/c1-27(23-10-6-4-7-11-23,21-28(2)34(32,33)24-12-8-5-9-13-24)17-19-30-18-16-25-22(20-30)14-15-26(31)29(25)3/h4-13,22,25H,14-21H2,1-3H3/t22?,25?,27-/m1/s1 QPHAZZUHBRVUDC-GHTCIJBCSA-N 50160676 CHEMBL182188::N-Methyl-N-[(S)-2-methyl-4-(1-methyl-2-oxo-octahydro-[1,6]naphthyridin-6-yl)-2-phenyl-butyl]-benzenesulfonamide C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160676&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275840 104047155 CHEMBL182188 ZINC38152410 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50295092 CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)20-23-35-21-19-31-28(25-35)18-22-36(31)32(37)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/m1/s1 ZPOGAAHIGIWSTJ-OKJCBAKCSA-N 50160679 CHEMBL426048::N-Methyl-N-[(S)-2-methyl-2-phenyl-4-(1-phenylacetyl-octahydro-pyrrolo[3,2-c]pyridin-5-yl)-butyl]-benzenesulfonamide C-C chemokine receptor type 5 6.4 ChEMBL 10.1016/j.bmcl.2004.12.044 10.7270/Q2G44PSF 15686896 Shah, SK; Chen, N; Guthikonda, RN; Mills, SG; Malkowitz, L; Springer, MS; Gould, SL; Demartino, JA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50160679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50160679&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275839 104047158 CHEMBL426048 ZINC38152404 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296731 CC1CN(CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1)c1ccc(cc1)C#N InChI=1S/C30H38ClN5O2/c1-22-5-8-28(19-29(22)31)36(30(38)26-11-15-34(16-12-26)24(3)37)14-4-13-33-17-18-35(21-23(33)2)27-9-6-25(20-32)7-10-27/h5-10,19,23,26H,4,11-18,21H2,1-3H3 DIMUQDYNQQZMJO-UHFFFAOYSA-N 50062977 CHEMBL3398002 C-C chemokine receptor type 5 164 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727191 313070889 CHEMBL3398002 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296733 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCN(CC1)c1ccc(cc1)C#N)c1ccc(C)c(Cl)c1 InChI=1S/C29H36ClN5O2/c1-22-4-7-27(20-28(22)30)35(29(37)25-10-14-33(15-11-25)23(2)36)13-3-12-32-16-18-34(19-17-32)26-8-5-24(21-31)6-9-26/h4-9,20,25H,3,10-19H2,1-2H3 HEOXWLCNPNPOPJ-UHFFFAOYSA-N 50062978 CHEMBL3398001 C-C chemokine receptor type 5 240 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727190 313070890 CHEMBL3398001 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296734 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296736 C[C@H]1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C30H40ClFN4O2/c1-22-5-10-28(19-29(22)31)36(30(38)26-11-15-35(16-12-26)24(3)37)14-4-13-34-18-17-33(20-23(34)2)21-25-6-8-27(32)9-7-25/h5-10,19,23,26H,4,11-18,20-21H2,1-3H3/t23-/m0/s1 ISEQOZLGRBFKIV-QHCPKHFHSA-N 50062979 CHEMBL3398000 C-C chemokine receptor type 5 3.0 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727189 313070891 CHEMBL3398000 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296737 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C30H40ClFN4O2/c1-22-5-10-28(19-29(22)31)36(30(38)26-11-15-35(16-12-26)24(3)37)14-4-13-34-18-17-33(20-23(34)2)21-25-6-8-27(32)9-7-25/h5-10,19,23,26H,4,11-18,20-21H2,1-3H3/t23-/m1/s1 ISEQOZLGRBFKIV-HSZRJFAPSA-N 50062980 CHEMBL3397999 C-C chemokine receptor type 5 50 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727188 313070892 CHEMBL3397999 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296738 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCCN(Cc2ccc(F)cc2)CC1)c1ccc(C)c(Cl)c1 InChI=1S/C30H40ClFN4O2/c1-23-5-10-28(21-29(23)31)36(30(38)26-11-17-35(18-12-26)24(2)37)16-4-14-33-13-3-15-34(20-19-33)22-25-6-8-27(32)9-7-25/h5-10,21,26H,3-4,11-20,22H2,1-2H3 AOCCUSCVPQOIRN-UHFFFAOYSA-N 50062981 CHEMBL3397998 C-C chemokine receptor type 5 906 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062981&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727187 313070893 CHEMBL3397998 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296741 CC(=O)N1CCC(CC1)C(=O)N(CCCN1C[C@@H]2C[C@H]1CN2Cc1ccc(F)cc1)c1ccc(C)c(Cl)c1 InChI=1S/C30H38ClFN4O2/c1-21-4-9-26(17-29(21)31)36(30(38)24-10-14-33(15-11-24)22(2)37)13-3-12-34-19-28-16-27(34)20-35(28)18-23-5-7-25(32)8-6-23/h4-9,17,24,27-28H,3,10-16,18-20H2,1-2H3/t27-,28-/m0/s1 UAGFQQUWGUKWFT-NSOVKSMOSA-N 50062982 CHEMBL3397997 C-C chemokine receptor type 5 8.8 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062982&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727186 313070894 CHEMBL3397997 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296742 CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(=O)c1ccccc1)c1ccc(C)c(Cl)c1 InChI=1S/C35H42ClFN4O2/c1-26-9-14-32(23-33(26)36)41(35(43)30-15-19-40(20-16-30)34(42)29-7-4-3-5-8-29)18-6-17-39-22-21-38(24-27(39)2)25-28-10-12-31(37)13-11-28/h3-5,7-14,23,27,30H,6,15-22,24-25H2,1-2H3 IRXPYSOEJZVFBM-UHFFFAOYSA-N 50062983 CHEMBL3397996 C-C chemokine receptor type 5 33 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062983&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727185 313070895 CHEMBL3397996 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296744 CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(C)c(Cl)c1 InChI=1S/C29H40ClFN4O3S/c1-22-5-10-27(19-28(22)30)35(29(36)25-11-15-34(16-12-25)39(3,37)38)14-4-13-33-18-17-32(20-23(33)2)21-24-6-8-26(31)9-7-24/h5-10,19,23,25H,4,11-18,20-21H2,1-3H3 NABRBUNCQKXEBI-UHFFFAOYSA-N 50062984 CHEMBL3397995 C-C chemokine receptor type 5 17 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062984&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727184 313070896 CHEMBL3397995 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296749 CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCCN(C1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C30H40ClFN4O2/c1-22-7-12-28(18-29(22)31)36(30(38)26-6-4-13-35(21-26)24(3)37)15-5-14-34-17-16-33(19-23(34)2)20-25-8-10-27(32)11-9-25/h7-12,18,23,26H,4-6,13-17,19-21H2,1-3H3 MSZZGUPVRPUTFU-UHFFFAOYSA-N 50062985 CHEMBL3397994 C-C chemokine receptor type 5 260 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062985&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727183 313070897 CHEMBL3397994 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296750 CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)c1ccc(F)cc1)c1ccc(C)c(Cl)c1 InChI=1S/C29H32ClF2N3O/c1-21-4-13-27(18-28(21)30)35(29(36)24-7-11-26(32)12-8-24)15-3-14-34-17-16-33(19-22(34)2)20-23-5-9-25(31)10-6-23/h4-13,18,22H,3,14-17,19-20H2,1-2H3 XTAWWFMNDKGXAZ-UHFFFAOYSA-N 50062986 CHEMBL3397993 C-C chemokine receptor type 5 204 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727182 313070898 CHEMBL3397993 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296755 CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C24H31ClFN3O/c1-18-5-10-23(15-24(18)25)29(20(3)30)12-4-11-28-14-13-27(16-19(28)2)17-21-6-8-22(26)9-7-21/h5-10,15,19H,4,11-14,16-17H2,1-3H3 GEXMXJGDZSRNBT-UHFFFAOYSA-N 50062987 CHEMBL3397992 C-C chemokine receptor type 5 2158 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062987&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727181 313070899 CHEMBL3397992 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296759 CC1CN(CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 InChI=1S/C29H38ClFN4O4S/c1-21-5-8-26(19-28(21)30)35(29(37)24-11-15-33(16-12-24)23(3)36)14-4-13-32-17-18-34(20-22(32)2)40(38,39)27-9-6-25(31)7-10-27/h5-10,19,22,24H,4,11-18,20H2,1-3H3 SLYIYGVSFHAPKU-UHFFFAOYSA-N 50062988 CHEMBL3397991 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062988&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727180 313070900 CHEMBL3397991 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296760 CC1CN(CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1)C(=O)c1ccc(F)cc1 InChI=1S/C30H38ClFN4O3/c1-21-5-10-27(19-28(21)31)36(30(39)25-11-15-34(16-12-25)23(3)37)14-4-13-33-17-18-35(20-22(33)2)29(38)24-6-8-26(32)9-7-24/h5-10,19,22,25H,4,11-18,20H2,1-3H3 XPECTIYHOMHYFI-UHFFFAOYSA-N 50062989 CHEMBL3397990 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062989&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727179 313070901 CHEMBL3397990 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296761 CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1cccc(Cl)c1 InChI=1S/C29H38ClFN4O2/c1-22-20-32(21-24-7-9-27(31)10-8-24)17-18-33(22)13-4-14-35(28-6-3-5-26(30)19-28)29(37)25-11-15-34(16-12-25)23(2)36/h3,5-10,19,22,25H,4,11-18,20-21H2,1-2H3 CZVUOZPEWVPBHF-UHFFFAOYSA-N 50062990 CHEMBL3397989 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062990&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727178 313070902 CHEMBL3397989 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296762 CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccccc1 InChI=1S/C29H39FN4O2/c1-23-21-31(22-25-9-11-27(30)12-10-25)19-20-32(23)15-6-16-34(28-7-4-3-5-8-28)29(36)26-13-17-33(18-14-26)24(2)35/h3-5,7-12,23,26H,6,13-22H2,1-2H3 SMDNZVVICMOXQB-UHFFFAOYSA-N 50062991 CHEMBL3397988 C-C chemokine receptor type 5 320 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062991&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727177 313070903 CHEMBL3397988 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296763 CC1CN(Cc2cccc(F)c2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C30H40ClFN4O2/c1-22-8-9-28(19-29(22)31)36(30(38)26-10-14-35(15-11-26)24(3)37)13-5-12-34-17-16-33(20-23(34)2)21-25-6-4-7-27(32)18-25/h4,6-9,18-19,23,26H,5,10-17,20-21H2,1-3H3 CCUUWFNDMFXJMR-UHFFFAOYSA-N 50062992 CHEMBL3397987 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062992&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727176 313070904 CHEMBL3397987 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296765 CC1CN(Cc2ccccc2F)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C30H40ClFN4O2/c1-22-9-10-27(19-28(22)31)36(30(38)25-11-15-35(16-12-25)24(3)37)14-6-13-34-18-17-33(20-23(34)2)21-26-7-4-5-8-29(26)32/h4-5,7-10,19,23,25H,6,11-18,20-21H2,1-3H3 ABASRKIVZOVMJH-UHFFFAOYSA-N 50062993 CHEMBL3397986 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062993&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727175 313070905 CHEMBL3397986 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296766 CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C30H40ClFN4O2/c1-22-5-10-28(19-29(22)31)36(30(38)26-11-15-35(16-12-26)24(3)37)14-4-13-34-18-17-33(20-23(34)2)21-25-6-8-27(32)9-7-25/h5-10,19,23,26H,4,11-18,20-21H2,1-3H3 ISEQOZLGRBFKIV-UHFFFAOYSA-N 50062995 CHEMBL3397985 C-C chemokine receptor type 5 6.6 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062995&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727174 313070906 CHEMBL3397985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296772 CC1CN(Cc2ccc(C)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C31H43ClN4O2/c1-23-6-9-27(10-7-23)22-33-18-19-34(25(3)21-33)14-5-15-36(29-11-8-24(2)30(32)20-29)31(38)28-12-16-35(17-13-28)26(4)37/h6-11,20,25,28H,5,12-19,21-22H2,1-4H3 DEYKOEXQQNSWIG-UHFFFAOYSA-N 50062996 CHEMBL3397984 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062996&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727173 313070907 CHEMBL3397984 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296775 CC1CN(Cc2ccccc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C30H41ClN4O2/c1-23-10-11-28(20-29(23)31)35(30(37)27-12-16-34(17-13-27)25(3)36)15-7-14-33-19-18-32(21-24(33)2)22-26-8-5-4-6-9-26/h4-6,8-11,20,24,27H,7,12-19,21-22H2,1-3H3 GMHKDASFRJNUHU-UHFFFAOYSA-N 50062998 CHEMBL3397983 C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062998&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727172 313070908 CHEMBL3397983 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296776 CC1CN(Cc2ccc(cc2)C#N)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccc(C)c(Cl)c1 InChI=1S/C31H40ClN5O2/c1-23-5-10-29(19-30(23)32)37(31(39)28-11-15-36(16-12-28)25(3)38)14-4-13-35-18-17-34(21-24(35)2)22-27-8-6-26(20-33)7-9-27/h5-10,19,24,28H,4,11-18,21-22H2,1-3H3 HDEUIXPAGMWAJN-UHFFFAOYSA-N 50062999 CHEMBL3397982 C-C chemokine receptor type 5 8.3 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50062999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50062999&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727171 313070909 CHEMBL3397982 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50296780 O=C(NC(CCN1CCN(CC1)c1ccc(cc1)C#N)c1ccccc1)C1CCCCC1 InChI=1S/C27H34N4O/c28-21-22-11-13-25(14-12-22)31-19-17-30(18-20-31)16-15-26(23-7-3-1-4-8-23)29-27(32)24-9-5-2-6-10-24/h1,3-4,7-8,11-14,24,26H,2,5-6,9-10,15-20H2,(H,29,32) YTBHPCQNWRHYOM-UHFFFAOYSA-N 50063000 CHEMBL3398003 C-C chemokine receptor type 5 6290 ChEMBL 10.1016/j.bmc.2014.12.052 10.7270/Q2WH2RN7 25638498 Hu, S; Wang, Z; Hou, T; Ma, X; Li, J; Liu, T; Xie, X; Hu, Y Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50063000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50063000&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118727192 313070910 CHEMBL3398003 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50302229 CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C InChI=1S/C26H35FN4O2S/c1-17-24(18(2)32)34-26(28-17)30-25(33)29-23-8-4-3-7-21(23)16-31-13-5-6-20(15-31)14-19-9-11-22(27)12-10-19/h9-12,20-21,23H,3-8,13-16H2,1-2H3,(H2,28,29,30,33)/t20-,21-,23+/m0/s1 NDZYPHLNJZSQJY-QNWVGRARSA-N 50163636 1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)cyclohexyl)-3-(5-acetyl-4-methylthiazol-2-yl)urea::1-(5-Acetyl-4-methyl-thiazol-2-yl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea::CHEMBL195433 C-C chemokine receptor type 5 1000 ChEMBL 10.1021/jm049530m 10.7270/Q2XP74F1 15771462 De Lucca, GV; Kim, UT; Vargo, BJ; Duncia, JV; Santella, JB; Gardner, DS; Zheng, C; Liauw, A; Wang, Z; Emmett, G; Wacker, DA; Welch, PK; Covington, M; Stowell, NC; Wadman, EA; Das, AM; Davies, P; Yeleswaram, S; Graden, DM; Solomon, KA; Newton, RC; Trainor, GL; Decicco, CP; Ko, SS Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163636&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11329244 104049619 CHEMBL195433 ZINC13613346 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50302230 Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1 HEXTXRMVMKIBQR-RZPFDVGOSA-N 50163634 1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)cyclohexyl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea::1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea::CHEMBL363840 C-C chemokine receptor type 5 1000 ChEMBL 10.1021/jm049530m 10.7270/Q2XP74F1 15771462 De Lucca, GV; Kim, UT; Vargo, BJ; Duncia, JV; Santella, JB; Gardner, DS; Zheng, C; Liauw, A; Wang, Z; Emmett, G; Wacker, DA; Welch, PK; Covington, M; Stowell, NC; Wadman, EA; Das, AM; Davies, P; Yeleswaram, S; Graden, DM; Solomon, KA; Newton, RC; Trainor, GL; Decicco, CP; Ko, SS Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163634&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11272103 104049617 CHEMBL363840 ZINC13613369 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304405 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(cn23)[N+]([O-])=O)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H36FN5O4/c31-24-6-2-5-22(14-24)26-19-34(27(30(37)38)13-20-3-1-4-20)17-23(26)16-33-11-9-21(10-12-33)28-15-32-29-8-7-25(36(39)40)18-35(28)29/h2,5-8,14-15,18,20-21,23,26-27H,1,3-4,9-13,16-17,19H2,(H,37,38)/t23-,26+,27+/m0/s1 QMFXDZUGEYPXTL-HUROMRQRSA-N 50165073 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(6-nitro-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::CHEMBL195753 C-C chemokine receptor type 5 0.6 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165073&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401965 104050668 CHEMBL195753 ZINC28521499 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304406 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(F)cn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H36F2N4O2/c31-24-6-2-5-22(14-24)26-19-35(27(30(37)38)13-20-3-1-4-20)17-23(26)16-34-11-9-21(10-12-34)28-15-33-29-8-7-25(32)18-36(28)29/h2,5-8,14-15,18,20-21,23,26-27H,1,3-4,9-13,16-17,19H2,(H,37,38)/t23-,26+,27+/m0/s1 LBWYDRIRXZIEHB-HUROMRQRSA-N 50165072 (R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(6-fluoro-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL194497 C-C chemokine receptor type 5 0.3 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165072&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10369469 104050667 CHEMBL194497 ZINC53253785 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304407 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3cccnc3n2)[C@H](C1)c1ccccc1 InChI=1S/C29H37N5O2/c35-28(36)27(16-21-6-4-7-21)34-18-24(25(19-34)22-8-2-1-3-9-22)17-32-14-10-23(11-15-32)26-20-33-13-5-12-30-29(33)31-26/h1-3,5,8-9,12-13,20-21,23-25,27H,4,6-7,10-11,14-19H2,(H,35,36)/t24-,25+,27+/m0/s1 NSCGBJOIKWLWMZ-ZWEKWIFMSA-N 50165074 (R)-3-Cyclobutyl-2-[(3S,4S)-3-(4-imidazo[1,2-a]pyrimidin-2-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-propionic acid::CHEMBL363564 C-C chemokine receptor type 5 200 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165074&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401608 104050669 CHEMBL363564 ZINC28523719 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304409 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc(=O)c3ccccc23)[C@H](C1)c1ccccc1 InChI=1S/C32H40N4O3/c37-31-27-13-7-8-14-29(27)36(22-33-31)26-15-17-34(18-16-26)19-25-20-35(21-28(25)23-9-3-1-4-10-23)30(32(38)39)24-11-5-2-6-12-24/h1,3-4,7-10,13-14,22,24-26,28,30H,2,5-6,11-12,15-21H2,(H,38,39)/t25-,28+,30+/m0/s1 MEWQRNOJALRNOU-GHQLXFMHSA-N 50165076 (R)-Cyclohexyl-{(3S,4S)-3-[4-(4-oxo-4H-quinazolin-1-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid::CHEMBL192456 C-C chemokine receptor type 5 100 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165076&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401734 104050671 CHEMBL192456 ZINC28478067 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304412 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2nnc3ccccn23)[C@H](C1)c1ccccc1 InChI=1S/C29H37N5O2/c35-29(36)26(17-21-7-6-8-21)33-19-24(25(20-33)22-9-2-1-3-10-22)18-32-15-12-23(13-16-32)28-31-30-27-11-4-5-14-34(27)28/h1-5,9-11,14,21,23-26H,6-8,12-13,15-20H2,(H,35,36)/t24-,25+,26+/m0/s1 JOALWEVNUULNIL-JIMJEQGWSA-N 50165079 (R)-3-Cyclobutyl-2-[(3S,4S)-3-phenyl-4-(4-[1,2,4]triazolo[4,3-a]pyridin-3-yl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL191803 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165079&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401763 104050674 CHEMBL191803 ZINC28520745 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304415 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3cccnc23)[C@H](C1)c1ccccc1 InChI=1S/C30H39N5O2/c36-30(37)28(23-10-5-2-6-11-23)34-19-24(26(20-34)22-8-3-1-4-9-22)18-33-16-13-25(14-17-33)35-21-32-27-12-7-15-31-29(27)35/h1,3-4,7-9,12,15,21,23-26,28H,2,5-6,10-11,13-14,16-20H2,(H,36,37)/t24-,26+,28+/m0/s1 MYLXMKJPWQSBJE-DKRHUIDYSA-N 50165082 (R)-2-((3S,4S)-3-((4-(3H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::(R)-Cyclohexyl-[(3S,4S)-3-(4-imidazo[4,5-b]pyridin-3-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-acetic acid::CHEMBL436290 C-C chemokine receptor type 5 2.8 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165082&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664163 104050677 CHEMBL436290 ZINC28520604 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304416 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(cn23)-c2ccccc2)[C@H](C1)c1cccc(F)c1 InChI=1S/C36H41FN4O2/c37-31-11-5-10-28(19-31)32-24-40(33(36(42)43)18-25-6-4-7-25)22-30(32)21-39-16-14-27(15-17-39)34-20-38-35-13-12-29(23-41(34)35)26-8-2-1-3-9-26/h1-3,5,8-13,19-20,23,25,27,30,32-33H,4,6-7,14-18,21-22,24H2,(H,42,43)/t30-,32+,33+/m0/s1 NOMDKPQZZPKQLJ-FCIJAXDVSA-N 50165084 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(6-phenyl-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::CHEMBL193822 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165084&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664149 104050679 CHEMBL193822 ZINC28523720 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304418 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2nnc3ccccc23)[C@H](C1)c1ccccc1 InChI=1S/C30H39N5O2/c36-30(37)29(23-11-5-2-6-12-23)34-20-24(26(21-34)22-9-3-1-4-10-22)19-33-17-15-25(16-18-33)35-28-14-8-7-13-27(28)31-32-35/h1,3-4,7-10,13-14,23-26,29H,2,5-6,11-12,15-21H2,(H,36,37)/t24-,26+,29+/m0/s1 QISMFKACLOKXEM-IHTKTJBKSA-N 50165086 (R)-[(3S,4S)-3-(4-Benzotriazol-1-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL196087 C-C chemokine receptor type 5 8.2 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165086&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664159 104050681 CHEMBL196087 ZINC28524459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304419 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3c(Cl)cc(Cl)cn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H35Cl2FN4O2/c31-23-13-26(32)29-34-14-28(37(29)17-23)20-7-9-35(10-8-20)15-22-16-36(27(30(38)39)11-19-3-1-4-19)18-25(22)21-5-2-6-24(33)12-21/h2,5-6,12-14,17,19-20,22,25,27H,1,3-4,7-11,15-16,18H2,(H,38,39)/t22-,25+,27+/m0/s1 LETGUAMCHXDZCJ-GEWUYGHSSA-N 50165085 (R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(6,8-dichloro-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL371177 C-C chemokine receptor type 5 0.5 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165085&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401956 104050680 CHEMBL371177 ZINC28523906 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304422 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(Cl)cn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H36ClFN4O2/c31-24-7-8-29-33-15-28(36(29)18-24)21-9-11-34(12-10-21)16-23-17-35(27(30(37)38)13-20-3-1-4-20)19-26(23)22-5-2-6-25(32)14-22/h2,5-8,14-15,18,20-21,23,26-27H,1,3-4,9-13,16-17,19H2,(H,37,38)/t23-,26+,27+/m0/s1 SJUQOLPRDNYNQN-HUROMRQRSA-N 50165078 (R)-2-[(3S,4S)-3-[4-(6-Chloro-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-cyclobutyl-propionic acid::CHEMBL193988 C-C chemokine receptor type 5 0.89 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165078&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401751 104050673 CHEMBL193988 ZINC53253723 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304424 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ncccc23)[C@H](C1)c1ccccc1 InChI=1S/C30H39N5O2/c36-30(37)28(23-10-5-2-6-11-23)34-19-24(26(20-34)22-8-3-1-4-9-22)18-33-16-13-25(14-17-33)35-21-32-29-27(35)12-7-15-31-29/h1,3-4,7-9,12,15,21,23-26,28H,2,5-6,10-11,13-14,16-20H2,(H,36,37)/t24-,26+,28+/m0/s1 CFTVRLVKUCECGP-DKRHUIDYSA-N 50165089 (R)-2-((3S,4S)-3-((4-(1H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::(R)-Cyclohexyl-[(3S,4S)-3-(4-imidazo[4,5-b]pyridin-1-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-acetic acid::CHEMBL195930 C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165089&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401985 104050684 CHEMBL195930 ZINC28525507 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304425 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Cn3cnc4ccccc34)CC2)[C@H](C1)c1ccccc1 InChI=1S/C32H42N4O2/c37-32(38)31(26-11-5-2-6-12-26)35-21-27(28(22-35)25-9-3-1-4-10-25)20-34-17-15-24(16-18-34)19-36-23-33-29-13-7-8-14-30(29)36/h1,3-4,7-10,13-14,23-24,26-28,31H,2,5-6,11-12,15-22H2,(H,37,38)/t27-,28+,31+/m0/s1 SFODKQIDIFSVNS-WTNLLYQRSA-N 50165091 (R)-[(3S,4S)-3-(4-Benzoimidazol-1-ylmethyl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL191139 C-C chemokine receptor type 5 6.3 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165091&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401765 104050686 CHEMBL191139 ZINC28521477 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304427 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ccccc23)[C@H](C1)c1ccccc1 InChI=1S/C31H40N4O2/c36-31(37)30(24-11-5-2-6-12-24)34-20-25(27(21-34)23-9-3-1-4-10-23)19-33-17-15-26(16-18-33)35-22-32-28-13-7-8-14-29(28)35/h1,3-4,7-10,13-14,22,24-27,30H,2,5-6,11-12,15-21H2,(H,36,37)/t25-,27+,30+/m0/s1 QRUOSJZEFNEZHQ-UJCCJREASA-N 50165094 (R)-2-((3S,4S)-3-((4-(1H-benzo[d]imidazol-1-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::(R)-[(3S,4S)-3-(4-Benzoimidazol-1-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL364070 C-C chemokine receptor type 5 2.5 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165094&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664156 104050689 CHEMBL364070 ZINC28523196 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304428 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCn3cnc4ccccc34)CC2)[C@H](C1)c1ccccc1 InChI=1S/C34H46N4O2/c39-34(40)33(28-13-5-2-6-14-28)38-23-29(30(24-38)27-11-3-1-4-12-27)22-36-20-17-26(18-21-36)10-9-19-37-25-35-31-15-7-8-16-32(31)37/h1,3-4,7-8,11-12,15-16,25-26,28-30,33H,2,5-6,9-10,13-14,17-24H2,(H,39,40)/t29-,30+,33+/m0/s1 OJLKWDKIHVBWDG-AARCXHMLSA-N 50165093 (R)-{(3S,4S)-3-[4-(3-Benzoimidazol-1-yl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid::CHEMBL193440 C-C chemokine receptor type 5 0.84 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165093&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20672384 104050688 CHEMBL193440 ZINC28523614 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304429 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2c3ccccc3[nH]c2=O)[C@H](C1)c1ccccc1 InChI=1S/C31H40N4O3/c36-30(37)29(23-11-5-2-6-12-23)34-20-24(26(21-34)22-9-3-1-4-10-22)19-33-17-15-25(16-18-33)35-28-14-8-7-13-27(28)32-31(35)38/h1,3-4,7-10,13-14,23-26,29H,2,5-6,11-12,15-21H2,(H,32,38)(H,36,37)/t24-,26+,29+/m0/s1 DSHOLSFIYBAMKG-IHTKTJBKSA-N 50165097 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::(R)-Cyclohexyl-{(3S,4S)-3-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid::CHEMBL195199 C-C chemokine receptor type 5 63 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165097&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401593 104050692 CHEMBL195199 ZINC28520913 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304432 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2c[nH]c3ccccc23)[C@H](C1)c1ccccc1 InChI=1S/C32H41N3O2/c36-32(37)31(25-11-5-2-6-12-25)35-21-26(29(22-35)23-9-3-1-4-10-23)20-34-17-15-24(16-18-34)28-19-33-30-14-8-7-13-27(28)30/h1,3-4,7-10,13-14,19,24-26,29,31,33H,2,5-6,11-12,15-18,20-22H2,(H,36,37)/t26-,29+,31+/m0/s1 PXULGTAZSZWVHW-QRLJAKNQSA-N 50165095 (R)-Cyclohexyl-{(3S,4S)-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid::CHEMBL445925 C-C chemokine receptor type 5 10 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165095&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401731 104050690 CHEMBL445925 ZINC28522979 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304433 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ccccc3c2=O)[C@H](C1)c1ccccc1 InChI=1S/C32H40N4O3/c37-31-27-13-7-8-14-29(27)33-22-36(31)26-15-17-34(18-16-26)19-25-20-35(21-28(25)23-9-3-1-4-10-23)30(32(38)39)24-11-5-2-6-12-24/h1,3-4,7-10,13-14,22,24-26,28,30H,2,5-6,11-12,15-21H2,(H,38,39)/t25-,28+,30+/m0/s1 XIFCSFGJWSMGDJ-GHQLXFMHSA-N 50165096 (R)-Cyclohexyl-{(3S,4S)-3-[4-(4-oxo-4H-quinazolin-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid::CHEMBL194078 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165096&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401863 104050691 CHEMBL194078 ZINC28523060 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304436 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C32H44N2O2/c35-32(36)31(21-27-13-8-14-27)34-23-29(30(24-34)28-15-5-2-6-16-28)22-33-19-17-26(18-20-33)12-7-11-25-9-3-1-4-10-25/h1-6,9-10,15-16,26-27,29-31H,7-8,11-14,17-24H2,(H,35,36)/t29-,30+,31+/m0/s1 CZNWHUFRZNZRGS-OJDZSJEKSA-N 50119338 (R)-3-Cyclobutyl-2-{(3S,4S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-Cyclobutyl-2-{(S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::3-cyclobutyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}propanoic acid::CHEMBL20896 C-C chemokine receptor type 5 0.1 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119338&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501062 104012556 CHEMBL20896 ZINC13479578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304437 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(cn23)C(F)(F)F)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H36F4N4O2/c32-25-6-2-5-22(14-25)26-19-38(27(30(40)41)13-20-3-1-4-20)17-23(26)16-37-11-9-21(10-12-37)28-15-36-29-8-7-24(18-39(28)29)31(33,34)35/h2,5-8,14-15,18,20-21,23,26-27H,1,3-4,9-13,16-17,19H2,(H,40,41)/t23-,26+,27+/m0/s1 IXLAACMWTDRWNI-HUROMRQRSA-N 50165087 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(6-trifluoromethyl-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::CHEMBL435886 C-C chemokine receptor type 5 0.82 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165087&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401760 104050682 CHEMBL435886 ZINC28521109 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304438 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCn3cnc4ccccc34)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H44N4O2/c38-33(39)32(27-11-5-2-6-12-27)37-22-28(29(23-37)26-9-3-1-4-10-26)21-35-18-15-25(16-19-35)17-20-36-24-34-30-13-7-8-14-31(30)36/h1,3-4,7-10,13-14,24-25,27-29,32H,2,5-6,11-12,15-23H2,(H,38,39)/t28-,29+,32+/m0/s1 YMRAFUPPFPFNJB-NPLMNSEMSA-N 50165098 (R)-{(3S,4S)-3-[4-(2-Benzoimidazol-1-yl-ethyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid::CHEMBL193972 C-C chemokine receptor type 5 2.6 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165098&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401686 104050693 CHEMBL193972 ZINC28522938 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50304439 CCc1ccn2c(cnc2c1)C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C32H41FN4O2/c1-2-22-9-14-37-30(18-34-31(37)16-22)24-10-12-35(13-11-24)19-26-20-36(29(32(38)39)15-23-5-3-6-23)21-28(26)25-7-4-8-27(33)17-25/h4,7-9,14,16-18,23-24,26,28-29H,2-3,5-6,10-13,15,19-21H2,1H3,(H,38,39)/t26-,28+,29+/m0/s1 XHIDYJZGPCURNT-WIIGKZCBSA-N 50165099 (R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(7-ethyl-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL193984 C-C chemokine receptor type 5 0.35 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165099&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401488 104050694 CHEMBL193984 ZINC28523498 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320319 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C37H43N3O5S2/c1-3-40(37(41)28-29-14-20-34(21-15-29)46(2,42)43)33-22-25-39(26-23-33)27-24-36(30-10-6-4-7-11-30)31-16-18-32(19-17-31)38-47(44,45)35-12-8-5-9-13-35/h4-21,33,36,38H,3,22-28H2,1-2H3 RMBIIDOEEPBEST-UHFFFAOYSA-N 50173371 CHEMBL198884::N-{1-[3-(4-Benzenesulfonylamino-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 740 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173371&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404645 104059303 CHEMBL198884 ZINC28527303 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320321 CCN(C1CCN(CCC(c2ccccc2)c2ccc(N)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H39N3O3S/c1-3-34(31(35)23-24-9-15-29(16-10-24)38(2,36)37)28-17-20-33(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(32)14-12-26/h4-16,28,30H,3,17-23,32H2,1-2H3 XEYCTALVIFKZEA-UHFFFAOYSA-N 50173373 CHEMBL369947::N-{1-[3-(4-Amino-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 200 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173373&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404638 104059305 CHEMBL369947 ZINC28528280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320322 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(C)=O)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C33H41N3O4S/c1-4-36(33(38)24-26-10-16-31(17-11-26)41(3,39)40)30-18-21-35(22-19-30)23-20-32(27-8-6-5-7-9-27)28-12-14-29(15-13-28)34-25(2)37/h5-17,30,32H,4,18-24H2,1-3H3,(H,34,37) VNXYBRUSQZZOGE-UHFFFAOYSA-N 50173374 CHEMBL198497::N-{1-[3-(4-Acetylamino-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173374&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404639 104059306 CHEMBL198497 ZINC28528282 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320323 CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C32H38N2O3S/c1-38(36,37)30-16-12-25(13-17-30)24-32(35)34(28-14-15-28)29-18-21-33(22-19-29)23-20-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-13,16-17,28-29,31H,14-15,18-24H2,1H3 YQBDDKXLWVVVHC-UHFFFAOYSA-N 50157026 CHEMBL182074::N-Cyclopropyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 32 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157026&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392137 104044048 CHEMBL182074 ZINC28356924 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320324 CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 InChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3 FVSFZNKZAWLBHE-UHFFFAOYSA-N 50157000 CHEMBL180155::N-Allyl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-2-(4-methanesulfonyl-phenyl)-acetamide::N-allyl-N-(1-(3,3-diphenylpropyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157000&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11421221 104044022 CHEMBL180155 ZINC28335027 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320326 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H41N3O5S2/c1-4-35(32(36)24-25-10-16-30(17-11-25)41(2,37)38)29-18-21-34(22-19-29)23-20-31(26-8-6-5-7-9-26)27-12-14-28(15-13-27)33-42(3,39)40/h5-17,29,31,33H,4,18-24H2,1-3H3 ZIJRVERIGYOJGY-UHFFFAOYSA-N 50173376 CHEMBL198114::N-Ethyl-N-{1-[3-(4-methanesulfonylamino-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173376&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404643 104059308 CHEMBL198114 ZINC28528381 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320327 CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)-c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C37H42N2O3S/c1-3-39(37(40)28-29-14-20-35(21-15-29)43(2,41)42)34-22-25-38(26-23-34)27-24-36(32-12-8-5-9-13-32)33-18-16-31(17-19-33)30-10-6-4-7-11-30/h4-21,34,36H,3,22-28H2,1-2H3 ORGLUDXXKOGZIV-UHFFFAOYSA-N 50173377 CHEMBL372297::N-[1-(3-Biphenyl-4-yl-3-phenyl-propyl)-piperidin-4-yl]-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 85 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173377&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404720 104059309 CHEMBL372297 ZINC28528369 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320328 CCN(C1CCN(CCC(c2ccccc2)c2ccc(Cl)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H37ClN2O3S/c1-3-34(31(35)23-24-9-15-29(16-10-24)38(2,36)37)28-17-20-33(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(32)14-12-26/h4-16,28,30H,3,17-23H2,1-2H3 ASZPWIAQUZJALQ-UHFFFAOYSA-N 50173378 CHEMBL198277::N-{1-[3-(4-Chloro-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 8.5 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173378&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404596 104059310 CHEMBL198277 ZINC28527839 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320329 CCN(C1CCN(CCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H36Cl2N2O3S/c1-3-35(31(36)22-23-4-14-29(15-5-23)39(2,37)38)28-16-19-34(20-17-28)21-18-30(24-6-10-26(32)11-7-24)25-8-12-27(33)13-9-25/h4-15,28,30H,3,16-22H2,1-2H3 JYPBEZFBAOWHCD-UHFFFAOYSA-N 50173379 CHEMBL372852::N-{1-[3,3-Bis-(4-chloro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 760 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173379&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404601 104059311 CHEMBL372852 ZINC28528978 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320330 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C38H45N3O5S2/c1-3-41(38(42)28-30-14-20-36(21-15-30)47(2,43)44)35-22-25-40(26-23-35)27-24-37(32-12-8-5-9-13-32)33-16-18-34(19-17-33)39-48(45,46)29-31-10-6-4-7-11-31/h4-21,35,37,39H,3,22-29H2,1-2H3 WXPALFNOHPEXQH-UHFFFAOYSA-N 50173380 CHEMBL372733::N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-{1-[3-phenyl-3-(4-phenylmethanesulfonylamino-phenyl)-propyl]-piperidin-4-yl}-acetamide C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173380&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404644 104059312 CHEMBL372733 ZINC28528383 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320331 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H41N3O5S2/c1-4-35(32(36)24-25-10-16-30(17-11-25)41(2,37)38)29-18-21-34(22-19-29)23-20-31(26-8-6-5-7-9-26)27-12-14-28(15-13-27)33-42(3,39)40/h5-17,29,31,33H,4,18-24H2,1-3H3 ZIJRVERIGYOJGY-UHFFFAOYSA-N 50173376 CHEMBL198114::N-Ethyl-N-{1-[3-(4-methanesulfonylamino-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173376&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404643 104059308 CHEMBL198114 ZINC28528381 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320332 CCN(C1CCN(CCC(c2ccc(NS(C)(=O)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H40FN3O5S2/c1-4-36(32(37)22-24-8-14-30(15-9-24)42(2,38)39)29-16-19-35(20-17-29)21-18-31(26-6-5-7-27(33)23-26)25-10-12-28(13-11-25)34-43(3,40)41/h5-15,23,29,31,34H,4,16-22H2,1-3H3 IMIFOGWSXLBSEK-UHFFFAOYSA-N 50173382 CHEMBL373214::N-Ethyl-N-{1-[3-(3-fluoro-phenyl)-3-(4-methanesulfonylamino-phenyl)-propyl]-piperidin-4-yl}-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 9.1 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173382&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404658 104059314 CHEMBL373214 ZINC49776293 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320333 CCN(C1CCN(CCC(c2ccccc2)c2ccc(C)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H40N2O3S/c1-4-34(32(35)24-26-12-16-30(17-13-26)38(3,36)37)29-18-21-33(22-19-29)23-20-31(27-8-6-5-7-9-27)28-14-10-25(2)11-15-28/h5-17,29,31H,4,18-24H2,1-3H3 VZNCVMMCTJTAFE-UHFFFAOYSA-N 50173381 CHEMBL197714::N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-[1-(3-phenyl-3-p-tolyl-propyl)-piperidin-4-yl]-acetamide C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173381&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404702 104059313 CHEMBL197714 ZINC28528375 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320334 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C39H45N3O4S/c1-3-42(39(44)29-31-14-20-36(21-15-31)47(2,45)46)35-22-25-41(26-23-35)27-24-37(32-12-8-5-9-13-32)33-16-18-34(19-17-33)40-38(43)28-30-10-6-4-7-11-30/h4-21,35,37H,3,22-29H2,1-2H3,(H,40,43) FYRSQAWWJXJDBF-UHFFFAOYSA-N 50173383 CHEMBL199118::N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-{1-[3-phenyl-3-(4-phenylacetylamino-phenyl)-propyl]-piperidin-4-yl}-acetamide C-C chemokine receptor type 5 5.9 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173383&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404640 104059315 CHEMBL199118 ZINC28529022 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320335 CCN(C1CCN(CCC(c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H37ClN2O3S/c1-3-34(31(35)22-24-12-14-29(15-13-24)38(2,36)37)28-16-19-33(20-17-28)21-18-30(25-8-5-4-6-9-25)26-10-7-11-27(32)23-26/h4-15,23,28,30H,3,16-22H2,1-2H3 MALUGQRWPSHGBG-UHFFFAOYSA-N 50173384 CHEMBL197907::N-{1-[3-(3-Chloro-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 58 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173384&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404692 104059316 CHEMBL197907 ZINC28528488 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320336 CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H38N2O3S/c1-3-33(31(34)24-25-14-16-29(17-15-25)37(2,35)36)28-18-21-32(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3 FBCOMGDKGBJAAS-UHFFFAOYSA-N 50157032 CHEMBL369311::N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157032&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44392096 104044054 CHEMBL369311 ZINC28347472 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320337 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)c3ccccc3)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C38H43N3O4S/c1-3-41(37(42)28-29-14-20-35(21-15-29)46(2,44)45)34-22-25-40(26-23-34)27-24-36(30-10-6-4-7-11-30)31-16-18-33(19-17-31)39-38(43)32-12-8-5-9-13-32/h4-21,34,36H,3,22-28H2,1-2H3,(H,39,43) ADHWTRBZUSJYJU-UHFFFAOYSA-N 50173385 CHEMBL199119::N-{4-[3-(4-{Ethyl-[2-(4-methanesulfonyl-phenyl)-acetyl]-amino}-piperidin-1-yl)-1-phenyl-propyl]-phenyl}-benzamide C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173385&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404641 104059317 CHEMBL199119 ZINC28529026 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320338 CCN(C1CCN(CCC(c2ccc(Cl)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H36ClFN2O3S/c1-3-35(31(36)21-23-7-13-29(14-8-23)39(2,37)38)28-15-18-34(19-16-28)20-17-30(24-9-11-26(32)12-10-24)25-5-4-6-27(33)22-25/h4-14,22,28,30H,3,15-21H2,1-2H3 SQROPWBJFAXFDI-UHFFFAOYSA-N 50173386 CHEMBL370998::N-{1-[3-(4-Chloro-phenyl)-3-(3-fluoro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 19 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173386&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404650 104059318 CHEMBL370998 ZINC28528267 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320339 CCN(C1CCN(CCC(c2ccc(N)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H38FN3O3S/c1-3-35(31(36)21-23-7-13-29(14-8-23)39(2,37)38)28-15-18-34(19-16-28)20-17-30(24-9-11-27(33)12-10-24)25-5-4-6-26(32)22-25/h4-14,22,28,30H,3,15-21,33H2,1-2H3 MRNBXTAEJMPZAH-UHFFFAOYSA-N 50173387 CHEMBL372640::N-{1-[3-(4-Amino-phenyl)-3-(3-fluoro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 105 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173387&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404656 104059319 CHEMBL372640 ZINC28528837 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320340 CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H40N2O5S2/c1-4-34(32(35)24-25-10-14-29(15-11-25)40(2,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-16-30(17-13-27)41(3,38)39/h5-17,28,31H,4,18-24H2,1-3H3 COHWEVSELQDEED-UHFFFAOYSA-N 50173389 CHEMBL198150::N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-{1-[3-(4-methanesulfonyl-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-acetamide::N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(4-(methylsulfonyl)phenyl)-3-phenylpropyl)piperidin-4-yl)acetamide C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173389&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11635721 104059321 CHEMBL198150 ZINC03916180 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320341 CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(N)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H39N3O4S/c1-3-35(31(36)23-24-9-15-29(16-10-24)40(2,38)39)28-17-20-34(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(14-12-26)32(33)37/h4-16,28,30H,3,17-23H2,1-2H3,(H2,33,37) VZJZITZTULRASA-UHFFFAOYSA-N 50173390 4-[3-(4-{Ethyl-[2-(4-methanesulfonyl-phenyl)-acetyl]-amino}-piperidin-1-yl)-1-phenyl-propyl]-benzamide::CHEMBL198777 C-C chemokine receptor type 5 260 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173390&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404710 104059322 CHEMBL198777 ZINC28528575 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320342 CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H37F3N2O3S/c1-3-37(31(38)23-24-9-15-29(16-10-24)41(2,39)40)28-17-20-36(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(14-12-26)32(33,34)35/h4-16,28,30H,3,17-23H2,1-2H3 CVPHPQWQOOHBMW-UHFFFAOYSA-N 50173388 CHEMBL197641::N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-{1-[3-phenyl-3-(4-trifluoromethyl-phenyl)-propyl]-piperidin-4-yl}-acetamide C-C chemokine receptor type 5 2.3 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173388&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404705 104059320 CHEMBL197641 ZINC28528480 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320343 CCN(C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C33H40FN3O4S/c1-4-37(33(39)22-25-8-14-31(15-9-25)42(3,40)41)30-16-19-36(20-17-30)21-18-32(27-6-5-7-28(34)23-27)26-10-12-29(13-11-26)35-24(2)38/h5-15,23,30,32H,4,16-22H2,1-3H3,(H,35,38) DZYPRLBOUVHBFD-UHFFFAOYSA-N 50173391 CHEMBL370826::N-{1-[3-(4-Acetylamino-phenyl)-3-(3-fluoro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 7.9 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173391&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404657 104059323 CHEMBL370826 ZINC14175425 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320344 CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(=O)OC)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C33H40N2O5S/c1-4-35(32(36)24-25-10-16-30(17-11-25)41(3,38)39)29-18-21-34(22-19-29)23-20-31(26-8-6-5-7-9-26)27-12-14-28(15-13-27)33(37)40-2/h5-17,29,31H,4,18-24H2,1-3H3 QMPSTZSSNBYKQR-UHFFFAOYSA-N 50173393 4-[3-(4-{Ethyl-[2-(4-methanesulfonyl-phenyl)-acetyl]-amino}-piperidin-1-yl)-1-phenyl-propyl]-benzoic acid methyl ester::CHEMBL197680 C-C chemokine receptor type 5 7.1 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173393&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404709 104059325 CHEMBL197680 ZINC28528486 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320345 CCN(C1CCN(CCC(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H36Cl2N2O3S/c1-3-35(31(36)21-23-9-12-27(13-10-23)39(2,37)38)26-15-18-34(19-16-26)20-17-28(24-7-5-4-6-8-24)25-11-14-29(32)30(33)22-25/h4-14,22,26,28H,3,15-21H2,1-2H3 GVPVYHKORBHADC-UHFFFAOYSA-N 50173392 CHEMBL371865::N-{1-[3-(3,4-Dichloro-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 78 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173392&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404697 104059324 CHEMBL371865 ZINC28527323 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320346 CCN(C1CCN(CCC(c2ccccc2)c2ccc(OC)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H40N2O4S/c1-4-34(32(35)24-25-10-16-30(17-11-25)39(3,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-14-29(38-2)15-13-27/h5-17,28,31H,4,18-24H2,1-3H3 WOFJBCANNLHJIE-UHFFFAOYSA-N 50173398 CHEMBL371691::N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-{1-[3-(4-methoxy-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-acetamide C-C chemokine receptor type 5 6.3 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173398&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404719 104059330 CHEMBL371691 ZINC28528366 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320347 CCN(C1CCN(CCC(c2ccccc2)c2ccc(F)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H37FN2O3S/c1-3-34(31(35)23-24-9-15-29(16-10-24)38(2,36)37)28-17-20-33(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(32)14-12-26/h4-16,28,30H,3,17-23H2,1-2H3 MQQOONUJSDUZQC-UHFFFAOYSA-N 50173394 CHEMBL199258::N-Ethyl-N-{1-[3-(4-fluoro-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 310 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173394&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404605 104059326 CHEMBL199258 ZINC28528563 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320348 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NOC(C)(C)C)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C35H47N3O4S/c1-6-38(34(39)26-27-12-18-32(19-13-27)43(5,40)41)31-20-23-37(24-21-31)25-22-33(28-10-8-7-9-11-28)29-14-16-30(17-15-29)36-42-35(2,3)4/h7-19,31,33,36H,6,20-26H2,1-5H3 YCUBESUJZDJYCJ-UHFFFAOYSA-N 50173396 CHEMBL382079::N-{1-[3-(4-tert-Butoxyamino-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 200 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173396&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404730 104059328 CHEMBL382079 ZINC28527451 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320349 CCN(C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)C(C)(C)C)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C36H47N3O4S/c1-6-39(34(40)26-27-12-18-32(19-13-27)44(5,42)43)31-20-23-38(24-21-31)25-22-33(28-10-8-7-9-11-28)29-14-16-30(17-15-29)37-35(41)36(2,3)4/h7-19,31,33H,6,20-26H2,1-5H3,(H,37,41) QKNIXSWGUKMPBD-UHFFFAOYSA-N 50173397 CHEMBL370552::N-{4-[3-(4-{Ethyl-[2-(4-methanesulfonyl-phenyl)-acetyl]-amino}-piperidin-1-yl)-1-phenyl-propyl]-phenyl}-2,2-dimethyl-propionamide C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173397&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404642 104059329 CHEMBL370552 ZINC28529030 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320350 CCN(C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H36F2N2O3S/c1-3-35(31(36)22-23-4-14-29(15-5-23)39(2,37)38)28-16-19-34(20-17-28)21-18-30(24-6-10-26(32)11-7-24)25-8-12-27(33)13-9-25/h4-15,28,30H,3,16-22H2,1-2H3 WLNCGIQLHPVTPW-UHFFFAOYSA-N 50173399 CHEMBL199147::N-(1-(3,3-bis(4-fluorophenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::N-{1-[3,3-Bis-(4-fluoro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 780 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173399&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073659 104059331 CHEMBL199147 ZINC28528164 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50320351 CCN(C1CCN(CCC(c2ccccc2)c2ccc(SC)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H40N2O3S2/c1-4-34(32(35)24-25-10-16-30(17-11-25)39(3,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-14-29(38-2)15-13-27/h5-17,28,31H,4,18-24H2,1-3H3 HPLNXPONOZSDRJ-UHFFFAOYSA-N 50173395 CHEMBL372134::N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-{1-[3-(4-methylsulfanyl-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-acetamide C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173395&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44404724 104059327 CHEMBL372134 ZINC28528912 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342437 CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 NUJWKQSEJDYCDB-GNRVTEMESA-N 50089354 CHEMBL3577945 C-C chemokine receptor type 5 4.3 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089354&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73R 5T1A 68764898 318472558 CHEMBL3577945 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342441 CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F InChI=1S/C24H38F3N5O4/c1-6-7-20(33)19(12-28-11-14(2)3)31-21(34)13-29-22(35)17-10-16(24(25,26)27)8-9-18(17)32-23(36)30-15(4)5/h8-10,14-15,19-20,28,33H,6-7,11-13H2,1-5H3,(H,29,35)(H,31,34)(H2,30,32,36)/t19-,20-/m0/s1 OKIJQELRSBSEJX-PMACEKPBSA-N 50089355 CHEMBL3577932 C-C chemokine receptor type 5 137 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089355&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 66768099 318472559 CHEMBL3577932 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342442 CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F InChI=1S/C25H40F3N5O4/c1-7-8-20(34)19(12-29-14-24(4,5)6)32-21(35)13-30-22(36)17-11-16(25(26,27)28)9-10-18(17)33-23(37)31-15(2)3/h9-11,15,19-20,29,34H,7-8,12-14H2,1-6H3,(H,30,36)(H,32,35)(H2,31,33,37)/t19-,20-/m0/s1 BYVKUTDQYZLLAZ-PMACEKPBSA-N 50089356 CHEMBL3577933 C-C chemokine receptor type 5 321 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089356&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 66767933 318472560 CHEMBL3577933 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342443 CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F InChI=1S/C24H36F3N5O4/c1-4-5-20(33)19(12-28-11-15-6-7-15)31-21(34)13-29-22(35)17-10-16(24(25,26)27)8-9-18(17)32-23(36)30-14(2)3/h8-10,14-15,19-20,28,33H,4-7,11-13H2,1-3H3,(H,29,35)(H,31,34)(H2,30,32,36)/t19-,20-/m0/s1 BQUPZWGSYOWEQM-PMACEKPBSA-N 50089357 CHEMBL3577934 C-C chemokine receptor type 5 1242 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089357&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 66768640 318472561 CHEMBL3577934 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344561 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)NC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H35Cl2FN4O4S/c1-40(38,39)34-17-9-21(10-18-34)28(37)35(24-7-8-25(29)26(30)19-24)14-2-13-33-15-11-23(12-16-33)32-27(36)20-3-5-22(31)6-4-20/h3-8,19,21,23H,2,9-18H2,1H3,(H,32,36) NTMGUIDGOILDRZ-UHFFFAOYSA-N 50185962 CHEMBL210327::N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorobenzoyl)amino]-piperidin-1-yl}propyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 730 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185962&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11578088 104070026 CHEMBL210327 ZINC38156571 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344562 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2cccc(c2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-16-10-23(11-17-34)29(37)35(25-6-7-26(30)27(31)20-25)13-3-12-33-14-8-21(9-15-33)18-22-4-2-5-24(19-22)28(32)36/h2,4-7,19-21,23H,3,8-18H2,1H3,(H2,32,36) ACMGXLBBZHJYMG-UHFFFAOYSA-N 50185964 CHEMBL382252::N-{3-[4-(3-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 2.8 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185964&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11570778 104070028 CHEMBL382252 ZINC38156566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344563 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H35Cl2FN4O2/c1-20(36)34-17-9-21(10-18-34)28(37)35(25-7-8-26(29)27(30)19-25)14-2-13-33-15-11-24(12-16-33)32-23-5-3-22(31)4-6-23/h3-8,19,21,24,32H,2,9-18H2,1H3 AQKXSWOKSKKJQI-UHFFFAOYSA-N 50185965 1-acetyl-N-(3,4-dichlorophenyl)-N-{3-[4-(4-fluoroanilino)piperidin-1-yl]propyl}piperidine-4-carboxamide::CHEMBL205851 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185965&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11693007 104070029 CHEMBL205851 ZINC38156572 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344564 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1 InChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3 VVYJFMMANNCAHB-UHFFFAOYSA-N 50185960 1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-phenylpiperidine-4-carboxamide::CHEMBL207085 C-C chemokine receptor type 5 16 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013673 104070024 CHEMBL207085 ZINC00591080 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344565 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H39Cl2N3O5S2/c1-40(36,37)26-7-4-22(5-8-26)20-23-10-16-32(17-11-23)14-3-15-34(25-6-9-27(30)28(31)21-25)29(35)24-12-18-33(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3 GHWFPMGRAHZAFP-UHFFFAOYSA-N 50185967 CHEMBL207487::N-(3-(4-(4-(methylsulfonyl)benzyl)piperidin-1-yl)propyl)-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 2.2 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185967&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013701 104070031 CHEMBL207487 ZINC49937669 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344566 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H34Cl2FN3O4S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)39(37,38)24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3 BQOSWZIEUSNZDS-UHFFFAOYSA-N 50185968 1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)sulfonyl]piperidin-1-yl}propyl)piperidine-4-carboxamide::CHEMBL205539 C-C chemokine receptor type 5 2.9 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185968&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11585418 104070032 CHEMBL205539 ZINC38156573 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344567 CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 InChI=1S/C30H40Cl2N4O4S/c1-33-29(37)24-6-4-22(5-7-24)20-23-10-16-34(17-11-23)14-3-15-36(26-8-9-27(31)28(32)21-26)30(38)25-12-18-35(19-13-25)41(2,39)40/h4-9,21,23,25H,3,10-20H2,1-2H3,(H,33,37) XJNUCGHRHZAATE-UHFFFAOYSA-N 50185969 CHEMBL264832::N-(3,4-dichlorophenyl)-N-(3-{4-[4-(methylcarbamoyl)benzyl]-piperidin-1-yl}propyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 5.1 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185969&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275763 104070033 CHEMBL264832 ZINC38156564 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344568 COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 InChI=1S/C30H39Cl2N3O5S/c1-40-30(37)25-6-4-22(5-7-25)20-23-10-16-33(17-11-23)14-3-15-35(26-8-9-27(31)28(32)21-26)29(36)24-12-18-34(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3 XJXVLMRPZYJMPV-UHFFFAOYSA-N 50185970 CHEMBL207301::methyl 4-({1-[3-((3,4-Dichlorophenyl){[1-(methylsulfonyl)-piperidin-4-yl]carbonyl}amino)propyl]piperidin-4-yl}methyl)-benzoate C-C chemokine receptor type 5 4.6 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185970&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275760 104070034 CHEMBL207301 ZINC38156569 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344569 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3 ZROHYZUVGTZBOE-UHFFFAOYSA-N 50185971 CHEMBL207447::N-(3,4-dichlorophenyl)-N-[3-(4-{[(4-fluorophenyl)sulfonyl]-amino}piperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 4.6 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11585625 104070035 CHEMBL207447 ZINC49937663 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344570 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)S(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H34Cl2FN3O3S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)38(37)24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3 MIEWISRGDFUMGE-UHFFFAOYSA-N 50185975 1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)-sulfinyl]piperidin-1-yl}propyl)piperidine-4-carboxamide::CHEMBL207654 C-C chemokine receptor type 5 3.2 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185975&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11577846 104070039 CHEMBL207654 ZINC38156575 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344571 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H36Cl2FN3O2/c1-21(36)34-17-11-24(12-18-34)29(37)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-25(32)6-4-22/h3-8,20,23-24H,2,9-19H2,1H3 JGUOUIAGQGEANO-UHFFFAOYSA-N 50185972 CHEMBL207182::N-(3-(4-(4-fluorobenzyl)piperidin-1-yl)propyl)-1-acetyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185972&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013684 104070036 CHEMBL207182 ZINC03936184 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344572 CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 InChI=1S/C33H46Cl2N4O4S/c1-33(2,3)36-31(40)26-8-6-24(7-9-26)22-25-12-18-37(19-13-25)16-5-17-39(28-10-11-29(34)30(35)23-28)32(41)27-14-20-38(21-15-27)44(4,42)43/h6-11,23,25,27H,5,12-22H2,1-4H3,(H,36,40) AFKBGLZHUWDUOY-UHFFFAOYSA-N 50185974 CHEMBL205964::N-(3-{4-[4-(tert-butylcarbamoyl)benzyl]piperidin-1-yl}propyl)-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 11 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185974&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11527582 104070038 CHEMBL205964 ZINC49937626 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344573 CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 InChI=1S/C31H42Cl2N4O4S/c1-34(2)30(38)25-7-5-23(6-8-25)21-24-11-17-35(18-12-24)15-4-16-37(27-9-10-28(32)29(33)22-27)31(39)26-13-19-36(20-14-26)42(3,40)41/h5-10,22,24,26H,4,11-21H2,1-3H3 SEVIDRCPHNOAJR-UHFFFAOYSA-N 50185976 CHEMBL205706::N-(3,4-dichlorophenyl)-N-(3-{4-[4-(dimethylcarbamoyl)benzyl]piperidin-1-yl}propyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 19 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185976&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275764 104070040 CHEMBL205706 ZINC38156563 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344574 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C30H38Cl2N4O3/c1-21(37)35-17-11-25(12-18-35)30(39)36(26-7-8-27(31)28(32)20-26)14-2-13-34-15-9-23(10-16-34)19-22-3-5-24(6-4-22)29(33)38/h3-8,20,23,25H,2,9-19H2,1H3,(H2,33,38) QZEGJCQISZVRDI-UHFFFAOYSA-N 50185978 1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)piperidine-4-carboxamide::CHEMBL377026 C-C chemokine receptor type 5 3.8 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275765 104070042 CHEMBL377026 ZINC38156562 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344575 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(O)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H37Cl2N3O5S/c1-40(38,39)33-17-11-23(12-18-33)28(35)34(25-7-8-26(30)27(31)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(6-4-21)29(36)37/h3-8,20,22-23H,2,9-19H2,1H3,(H,36,37) WNDVAOQILMPKNL-UHFFFAOYSA-N 50185977 4-({1-[3-((3,4-dichlorophenyl){[1-(methylsulfonyl)piperidin-4-yl]carbonyl}amino)propyl]piperidin-4-yl}methyl)benzoic acid::CHEMBL207633 C-C chemokine receptor type 5 66 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275761 104070041 CHEMBL207633 ZINC38156568 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344576 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-22(12-18-34)29(37)35(24-7-8-26(30)27(31)20-24)14-4-13-33-15-9-21(10-16-33)19-23-5-2-3-6-25(23)28(32)36/h2-3,5-8,20-22H,4,9-19H2,1H3,(H2,32,36) DDYQGSGSMPSOTP-UHFFFAOYSA-N 50185966 CHEMBL206088::N-{3-[4-(2-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185966&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11692945 104070030 CHEMBL206088 ZINC38156565 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344577 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-24(12-18-34)29(37)35(25-7-8-26(30)27(31)20-25)14-2-13-33-15-9-22(10-16-33)19-21-3-5-23(6-4-21)28(32)36/h3-8,20,22,24H,2,9-19H2,1H3,(H2,32,36) GUCFYJUDEQEFSH-UHFFFAOYSA-N 50185980 CHEMBL207485::N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 8.9 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275762 104070044 CHEMBL207485 ZINC38156567 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344578 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H36Cl2N4O3S/c1-39(37,38)34-17-11-25(12-18-34)29(36)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-24(21-32)6-4-22/h3-8,20,23,25H,2,9-19H2,1H3 JNOUIWYPSXNYSU-UHFFFAOYSA-N 50185973 CHEMBL207630::N-{3-[4-(4-cyanobenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 1.7 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185973&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275759 104070037 CHEMBL207630 ZINC38156570 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344579 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H36Cl2FN3O3S/c1-38(36,37)33-17-11-23(12-18-33)28(35)34(25-7-8-26(29)27(30)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(31)6-4-21/h3-8,20,22-23H,2,9-19H2,1H3 CVFWQCMVAKICGX-UHFFFAOYSA-N 50185961 CHEMBL207190::N-(3-(4-(4-fluorobenzyl)piperidin-1-yl)propyl)-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 3.3 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013689 104070025 CHEMBL207190 ZINC38156577 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344580 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(C)c(Cl)c1 InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38) ASSJTMUEFHUKMJ-UHFFFAOYSA-N 50185979 1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide::CHEMBL207004::TAK-220 C-C chemokine receptor type 5 3.5 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275766 104070043 CHEMBL207004 800 ZINC06718478 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50344581 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)Sc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H34Cl2FN3O2S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)37-24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3 CWCAJAZCCFEQBH-UHFFFAOYSA-N 50185963 1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)sulfanyl]piperidin-1-yl}propyl)piperidine-4-carboxamide::CHEMBL437494 C-C chemokine receptor type 5 1.7 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185963&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11505350 104070027 CHEMBL437494 ZINC38156576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342675 CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cc(ccc2NC(=O)NCC)C(F)(F)F)C1=O)N(C)C(C)C InChI=1S/C28H42F3N5O3/c1-6-8-18-15-20(35(5)17(3)4)10-12-24(18)36-14-13-23(26(36)38)33-25(37)21-16-19(28(29,30)31)9-11-22(21)34-27(39)32-7-2/h9,11,16-18,20,23-24H,6-8,10,12-15H2,1-5H3,(H,33,37)(H2,32,34,39)/t18-,20-,23+,24+/m1/s1 NIGNHDUWKZDZLS-YKBLPDKLSA-N 50089353 CHEMBL3577942 C-C chemokine receptor type 5 3.4 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089353&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 68767049 318472557 CHEMBL3577942 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342678 CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O)N(C)C(C)C InChI=1S/C25H36ClN5O/c1-5-6-17-13-19(30(4)16(2)3)8-10-23(17)31-12-11-22(25(31)32)29-24-20-14-18(26)7-9-21(20)27-15-28-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,27,28,29)/t17-,19-,22+,23+/m1/s1 DEXJQUDODNDJEZ-GNRVTEMESA-N 50089363 CHEMBL3577944 C-C chemokine receptor type 5 22 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089363&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 68767078 318472567 CHEMBL3577944 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342679 CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 NUJWKQSEJDYCDB-GNRVTEMESA-N 50089354 CHEMBL3577945 C-C chemokine receptor type 5 2.4 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089354&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73R 5T1A 68764898 318472558 CHEMBL3577945 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342680 CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C InChI=1S/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/m1/s1 ZILPZMJIIYWEIE-IIPCHUTBSA-N 50089364 CHEMBL3577946 C-C chemokine receptor type 5 3.0 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089364&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 68764925 318472568 CHEMBL3577946 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342681 CC(C)[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C InChI=1S/C26H36F3N5O/c1-15(2)19-13-18(33(5)16(3)4)7-9-23(19)34-11-10-22(25(34)35)32-24-20-12-17(26(27,28)29)6-8-21(20)30-14-31-24/h6,8,12,14-16,18-19,22-23H,7,9-11,13H2,1-5H3,(H,30,31,32)/t18-,19+,22+,23+/m1/s1 MTBTXJDOIZCIGH-FUKQBSRTSA-N 50089366 CHEMBL3577948 C-C chemokine receptor type 5 10.0 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089366&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16064151 318472570 CHEMBL3577948 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50342682 COC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C InChI=1S/C25H34F3N5O2/c1-15(2)32(3)18-6-8-22(16(11-18)13-35-4)33-10-9-21(24(33)34)31-23-19-12-17(25(26,27)28)5-7-20(19)29-14-30-23/h5,7,12,14-16,18,21-22H,6,8-11,13H2,1-4H3,(H,29,30,31)/t16-,18+,21-,22-/m0/s1 QJQMEUAVQLMKRZ-REIYTJMXSA-N 50089367 CHEMBL3577949 C-C chemokine receptor type 5 18 ChEMBL 10.1021/ml500505q 10.7270/Q2668FWM 25893046 Carter, PH; Brown, GD; Cherney, RJ; Batt, DG; Chen, J; Clark, CM; Cvijic, ME; Duncia, JV; Ko, SS; Mandlekar, S; Mo, R; Nelson, DJ; Pang, J; Rose, AV; Santella, JB; Tebben, AJ; Traeger, SC; Xu, S; Zhao, Q; Barrish, JC Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50089367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50089367&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 68769802 318472571 CHEMBL3577949 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341745 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C42H54N4O4S/c1-5-7-23-49-24-25-50-39-16-11-33(12-17-39)34-13-20-41-36(26-34)27-35(10-8-9-22-45(41)29-32(3)4)42(47)44-37-14-18-40(19-15-37)51(48)30-38-28-43-31-46(38)21-6-2/h11-20,26-28,31-32H,5-10,21-25,29-30H2,1-4H3,(H,44,47) WQPGTNCTYYTOEZ-UHFFFAOYSA-N 50184400 (S)-(-)-9-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazonine-6-carboxamide::CHEMBL437302 C-C chemokine receptor type 5 6.8 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184400&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275743 104068774 CHEMBL437302 ZINC28572018 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341746 CCCCOCCOc1ccc(cc1)-c1ccc2N(Cc3cnn(C)c3)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C42H50N6O4S/c1-4-6-21-51-22-23-52-39-14-9-33(10-15-39)34-11-18-41-36(24-34)25-35(8-7-20-47(41)29-32-26-44-46(3)28-32)42(49)45-37-12-16-40(17-13-37)53(50)30-38-27-43-31-48(38)19-5-2/h9-18,24-28,31H,4-8,19-23,29-30H2,1-3H3,(H,45,49) OTCWDIPDRRZBOS-UHFFFAOYSA-N 50184399 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]-sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL204743 C-C chemokine receptor type 5 1.7 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184399&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275749 104068773 CHEMBL204743 ZINC28570582 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341748 CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C40H50N4O4S/c1-4-7-23-47-24-25-48-37-15-10-31(11-16-37)32-12-19-39-34(26-32)27-33(9-8-22-43(39)20-5-2)40(45)42-35-13-17-38(18-14-35)49(46)29-36-28-41-30-44(36)21-6-3/h10-19,26-28,30H,4-9,20-25,29H2,1-3H3,(H,42,45) NULMTHNUHZPDMN-UHFFFAOYSA-N 50184398 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL380447 C-C chemokine receptor type 5 1.7 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184398&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275747 104068772 CHEMBL380447 ZINC28569985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341749 CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C41H52N4O4S/c1-4-7-24-48-25-26-49-38-16-11-32(12-17-38)33-13-20-40-35(27-33)28-34(10-8-9-23-44(40)21-5-2)41(46)43-36-14-18-39(19-15-36)50(47)30-37-29-42-31-45(37)22-6-3/h11-20,27-29,31H,4-10,21-26,30H2,1-3H3,(H,43,46) VESCHKKPSXNEJA-UHFFFAOYSA-N 50184401 (S)-(-)-9-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazonine-6-carboxamide::CHEMBL205021 C-C chemokine receptor type 5 4.7 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184401&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20846055 104068775 CHEMBL205021 ZINC28571063 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341750 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341751 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1nncn1CCC InChI=1S/C40H51N5O4S/c1-5-7-22-48-23-24-49-36-15-10-31(11-16-36)32-12-19-38-34(25-32)26-33(9-8-21-44(38)27-30(3)4)40(46)42-35-13-17-37(18-14-35)50(47)28-39-43-41-29-45(39)20-6-2/h10-19,25-26,29-30H,5-9,20-24,27-28H2,1-4H3,(H,42,46) AQXIPTPSJDOCRP-UHFFFAOYSA-N 50184396 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL203536 C-C chemokine receptor type 5 2.4 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184396&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275751 104068770 CHEMBL203536 ZINC28569500 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341753 CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C42H54N4O4S/c1-4-7-25-49-26-27-50-39-17-12-33(13-18-39)34-14-21-41-36(28-34)29-35(11-9-8-10-24-45(41)22-5-2)42(47)44-37-15-19-40(20-16-37)51(48)31-38-30-43-32-46(38)23-6-3/h12-21,28-30,32H,4-11,22-27,31H2,1-3H3,(H,44,47) UGKLSFKNMZXTGK-UHFFFAOYSA-N 50184404 (S)-(-)-10-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4,5,6-hexahydro-1-benzazecine-7-carboxamide::CHEMBL202756 C-C chemokine receptor type 5 25 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184404&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20846052 104068778 CHEMBL202756 ZINC28572020 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341754 CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1nncn1CCC InChI=1S/C39H49N5O4S/c1-4-7-23-47-24-25-48-35-15-10-30(11-16-35)31-12-19-37-33(26-31)27-32(9-8-22-43(37)20-5-2)39(45)41-34-13-17-36(18-14-34)49(46)28-38-42-40-29-44(38)21-6-3/h10-19,26-27,29H,4-9,20-25,28H2,1-3H3,(H,41,45) HLGPSXKLUNQPCL-UHFFFAOYSA-N 50184402 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-(4-{[(4-propyl-4H-1,2,4-tri azol-3-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL202814 C-C chemokine receptor type 5 2.2 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184402&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20846071 104068776 CHEMBL202814 ZINC28572088 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341756 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C40H50N4O4S/c1-5-7-21-47-22-23-48-37-13-8-31(9-14-37)32-10-17-39-34(24-32)25-33(18-20-43(39)27-30(3)4)40(45)42-35-11-15-38(16-12-35)49(46)28-36-26-41-29-44(36)19-6-2/h8-17,24-26,29-30H,5-7,18-23,27-28H2,1-4H3,(H,42,45) RRVNVNTZDUESSJ-UHFFFAOYSA-N 50184403 7-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-((1-propyl-1H-imidazol-5-yl)methylsulfinyl)phenyl)-2,3-dihydro-1H-benzo[b]azepine-4-carboxamide::CHEMBL204821 C-C chemokine receptor type 5 1.9 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184403&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013575 104068777 CHEMBL204821 801 ZINC28570775 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50341759 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C43H56N4O4S/c1-5-7-24-50-25-26-51-40-17-12-34(13-18-40)35-14-21-42-37(27-35)28-36(11-9-8-10-23-46(42)30-33(3)4)43(48)45-38-15-19-41(20-16-38)52(49)31-39-29-44-32-47(39)22-6-2/h12-21,27-29,32-33H,5-11,22-26,30-31H2,1-4H3,(H,45,48) HSXOXWBHCVUZRD-UHFFFAOYSA-N 50184405 (S)-(-)-10-{4-[2-( butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4,5,6-hexahydro-1-benzazecine-7-carboxamide::CHEMBL264659 C-C chemokine receptor type 5 67 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184405&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275745 104068779 CHEMBL264659 ZINC28570223 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343949 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C33H39F3N2O5S2/c1-4-38(32(39)22-24-8-12-29(13-9-24)44(2,40)41)28-16-19-37(20-17-28)21-18-31(25-10-14-30(15-11-25)45(3,42)43)26-6-5-7-27(23-26)33(34,35)36/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1 QZVKMTXFSIOGOY-WJOKGBTCSA-N 50185668 (R)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(4-(methylsulfonyl)phenyl)-3-(3-(trifluoromethyl)phenyl)propyl)piperidin-4-yl)acetamide::CHEMBL377551 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185668&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073665 104069846 CHEMBL377551 ZINC49776345 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343950 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38ClFN2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1 AEKZALMFASFTNO-WJOKGBTCSA-N 50185667 (R)-N-(1-(3-(3-chloro-5-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL382435 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185667&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073670 104069845 CHEMBL382435 ZINC49778386 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343951 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H39ClN2O5S2/c1-4-35(32(36)22-24-8-12-29(13-9-24)41(2,37)38)28-16-19-34(20-17-28)21-18-31(26-6-5-7-27(33)23-26)25-10-14-30(15-11-25)42(3,39)40/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1 KDZIBHRPMCHQOB-WJOKGBTCSA-N 50185670 (R)-N-(1-(3-(3-chlorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL379082 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185670&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073662 104069848 CHEMBL379082 ZINC03916181 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343952 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(OC)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C33H42N2O6S2/c1-5-35(33(36)23-25-9-13-30(14-10-25)42(3,37)38)28-17-20-34(21-18-28)22-19-32(27-7-6-8-29(24-27)41-2)26-11-15-31(16-12-26)43(4,39)40/h6-16,24,28,32H,5,17-23H2,1-4H3/t32-/m1/s1 LOKAYLGXGZCBJB-JGCGQSQUSA-N 50185669 (R)-N-ethyl-N-(1-(3-(3-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL212408 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185669&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073674 104069847 CHEMBL212408 ZINC38157769 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343955 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2c(F)cccc2F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38F2N2O5S2/c1-4-36(31(37)22-23-8-12-26(13-9-23)42(2,38)39)25-16-19-35(20-17-25)21-18-28(32-29(33)6-5-7-30(32)34)24-10-14-27(15-11-24)43(3,40)41/h5-15,25,28H,4,16-22H2,1-3H3/t28-/m1/s1 UKLYIBLRWMCLRI-MUUNZHRXSA-N 50185671 (R)-N-(1-(3-(2,6-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL211903 C-C chemokine receptor type 5 560 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185671&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073668 104069849 CHEMBL211903 ZINC38157773 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343956 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2ccc(F)c(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)21-23-5-10-27(11-6-23)42(2,38)39)26-15-18-35(19-16-26)20-17-29(25-9-14-30(33)31(34)22-25)24-7-12-28(13-8-24)43(3,40)41/h5-14,22,26,29H,4,15-21H2,1-3H3/t29-/m1/s1 HVNVMPKJCJCVHJ-GDLZYMKVSA-N 50185672 (R)-N-(1-(3-(3,4-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL209251 C-C chemokine receptor type 5 21 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185672&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073663 104069850 CHEMBL209251 ZINC38157776 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343957 CCN(C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H36F2N2O3S/c1-3-35(31(36)22-23-4-14-29(15-5-23)39(2,37)38)28-16-19-34(20-17-28)21-18-30(24-6-10-26(32)11-7-24)25-8-12-27(33)13-9-25/h4-15,28,30H,3,16-22H2,1-2H3 WLNCGIQLHPVTPW-UHFFFAOYSA-N 50173399 CHEMBL199147::N-(1-(3,3-bis(4-fluorophenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::N-{1-[3,3-Bis-(4-fluoro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide C-C chemokine receptor type 5 780 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173399&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073659 104059331 CHEMBL199147 ZINC28528164 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343958 CCN(C1CCN(CC[C@@H](c2ccccc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H40N2O5S2/c1-4-34(32(35)24-25-10-14-29(15-11-25)40(2,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-16-30(17-13-27)41(3,38)39/h5-17,28,31H,4,18-24H2,1-3H3/t31-/m0/s1 COHWEVSELQDEED-HKBQPEDESA-N 50185673 (S)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(4-(methylsulfonyl)phenyl)-3-phenylpropyl)piperidin-4-yl)acetamide::CHEMBL211866 C-C chemokine receptor type 5 0.76 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185673&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073660 104069851 CHEMBL211866 ZINC03916180 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343961 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(c2)C(C)C)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C35H46N2O5S2/c1-6-37(35(38)24-27-10-14-32(15-11-27)43(4,39)40)31-18-21-36(22-19-31)23-20-34(30-9-7-8-29(25-30)26(2)3)28-12-16-33(17-13-28)44(5,41)42/h7-17,25-26,31,34H,6,18-24H2,1-5H3/t34-/m1/s1 BDQQVPFAZDRHQD-UUWRZZSWSA-N 50185675 (R)-N-ethyl-N-(1-(3-(3-isopropylphenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL382436 C-C chemokine receptor type 5 110 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185675&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073672 104069853 CHEMBL382436 ZINC38157771 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343962 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1 SCXSQUUTGCWHFU-WJOKGBTCSA-N 50185666 (R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL212689 C-C chemokine receptor type 5 0.32 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185666&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16007088 104069844 CHEMBL212689 ZINC36126689 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343963 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)c(F)c(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H37F3N2O5S2/c1-4-37(31(38)19-22-5-9-26(10-6-22)43(2,39)40)25-13-16-36(17-14-25)18-15-28(24-20-29(33)32(35)30(34)21-24)23-7-11-27(12-8-23)44(3,41)42/h5-12,20-21,25,28H,4,13-19H2,1-3H3/t28-/m1/s1 KAKJJTGEJYQYHN-MUUNZHRXSA-N 50185674 (R)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(4-(methylsulfonyl)phenyl)-3-(3,4,5-trifluorophenyl)propyl)piperidin-4-yl)acetamide::CHEMBL211175 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185674&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073666 104069852 CHEMBL211175 ZINC49938378 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343964 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(F)c2F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38F2N2O5S2/c1-4-36(31(37)22-23-8-12-26(13-9-23)42(2,38)39)25-16-19-35(20-17-25)21-18-28(29-6-5-7-30(33)32(29)34)24-10-14-27(15-11-24)43(3,40)41/h5-15,25,28H,4,16-22H2,1-3H3/t28-/m1/s1 BFJINXQZQCVHLS-MUUNZHRXSA-N 50185676 (R)-N-(1-(3-(2,3-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL265131 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185676&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073667 104069854 CHEMBL265131 ZINC38157774 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343965 CCN(C1CCN(CC[C@@H](c2ccc(F)cc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H39FN2O5S2/c1-4-35(32(36)23-24-5-13-29(14-6-24)41(2,37)38)28-17-20-34(21-18-28)22-19-31(25-7-11-27(33)12-8-25)26-9-15-30(16-10-26)42(3,39)40/h5-16,28,31H,4,17-23H2,1-3H3/t31-/m0/s1 HEQNNPHUJZSSCR-HKBQPEDESA-N 50185677 (S)-N-ethyl-N-(1-(3-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL380005 C-C chemokine receptor type 5 46 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185677&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073661 104069855 CHEMBL380005 ZINC38157777 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343967 CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H40N2O5S2/c1-4-34(32(35)24-25-10-14-29(15-11-25)40(2,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-16-30(17-13-27)41(3,38)39/h5-17,28,31H,4,18-24H2,1-3H3 COHWEVSELQDEED-UHFFFAOYSA-N 50173389 CHEMBL198150::N-Ethyl-2-(4-methanesulfonyl-phenyl)-N-{1-[3-(4-methanesulfonyl-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-acetamide::N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(4-(methylsulfonyl)phenyl)-3-phenylpropyl)piperidin-4-yl)acetamide C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50173389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173389&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11635721 104059321 CHEMBL198150 ZINC03916180 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343968 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(c2)C#N)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C33H39N3O5S2/c1-4-36(33(37)23-25-8-12-30(13-9-25)42(2,38)39)29-16-19-35(20-17-29)21-18-32(28-7-5-6-26(22-28)24-34)27-10-14-31(15-11-27)43(3,40)41/h5-15,22,29,32H,4,16-21,23H2,1-3H3/t32-/m1/s1 JXCAGDLNYWTTPQ-JGCGQSQUSA-N 50185678 (R)-N-(1-(3-(3-cyanophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL209278 C-C chemokine receptor type 5 56 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185678&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073673 104069856 CHEMBL209278 ZINC38157770 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343969 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(c2)C(C)(C)C)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C36H48N2O5S2/c1-7-38(35(39)25-27-11-15-32(16-12-27)44(5,40)41)31-19-22-37(23-20-31)24-21-34(28-13-17-33(18-14-28)45(6,42)43)29-9-8-10-30(26-29)36(2,3)4/h8-18,26,31,34H,7,19-25H2,1-6H3/t34-/m1/s1 CKFIKNDXVHLVTD-UUWRZZSWSA-N 50185679 (R)-N-(1-(3-(3-tert-butylphenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL446187 C-C chemokine receptor type 5 500 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185679&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073671 104069857 CHEMBL446187 ZINC49832821 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343970 CCN(C1CCN(CC[C@@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m0/s1 SCXSQUUTGCWHFU-HKBQPEDESA-N 50185680 (S)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL380083 C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185680&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44412984 104069858 CHEMBL380083 ZINC38157768 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343971 CCN(C1CCN(CC[C@@H](c2ccc(OC)cc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C33H42N2O6S2/c1-5-35(33(36)24-25-6-14-30(15-7-25)42(3,37)38)28-18-21-34(22-19-28)23-20-32(26-8-12-29(41-2)13-9-26)27-10-16-31(17-11-27)43(4,39)40/h6-17,28,32H,5,18-24H2,1-4H3/t32-/m0/s1 MFRAZCUYDKFADY-YTTGMZPUSA-N 50185682 (S)-N-ethyl-N-(1-(3-(4-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL378035 C-C chemokine receptor type 5 132 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185682&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073664 104069860 CHEMBL378035 ZINC38157775 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343972 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)ccc2F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)21-23-5-10-27(11-6-23)42(2,38)39)26-15-18-35(19-16-26)20-17-29(30-22-25(33)9-14-31(30)34)24-7-12-28(13-8-24)43(3,40)41/h5-14,22,26,29H,4,15-21H2,1-3H3/t29-/m1/s1 OICWCVOOUHNWCL-GDLZYMKVSA-N 50185683 (R)-N-(1-(3-(2,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL212243 C-C chemokine receptor type 5 32 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185683&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16073669 104069861 CHEMBL212243 ZINC38157772 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50343973 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H39FN2O5S2/c1-4-35(32(36)22-24-8-12-29(13-9-24)41(2,37)38)28-16-19-34(20-17-28)21-18-31(26-6-5-7-27(33)23-26)25-10-14-30(15-11-25)42(3,39)40/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1 WBZBAOVCJATDCS-WJOKGBTCSA-N 50185681 (R)-N-ethyl-N-(1-(3-(3-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL212731 C-C chemokine receptor type 5 0.22 ChEMBL 10.1016/j.bmcl.2006.03.089 10.7270/Q24B30XJ 16631366 Cumming, JG; Brown, SJ; Cooper, AE; Faull, AW; Flynn, AP; Grime, K; Oldfield, J; Shaw, JS; Shepherd, E; Tucker, H; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185681&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9916998 104069859 CHEMBL212731 ZINC03916166 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350697 Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 InChI=1S/C23H33N5O/c1-17-25-26-18(2)28(17)21-11-14-27(15-12-21)16-13-22(19-7-4-3-5-8-19)24-23(29)20-9-6-10-20/h3-5,7-8,20-22H,6,9-16H2,1-2H3,(H,24,29)/t22-/m0/s1 SRYGGSYASXWGOY-QFIPXVFZSA-N 50189393 (S)-N-(3-(4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide::CHEMBL212087 C-C chemokine receptor type 5 50 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189393&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415784 104073026 CHEMBL212087 ZINC38147803 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350698 O=C(N[C@@H](CCN1CCC(CC1)n1cnc(Cc2ccccc2)n1)c1ccccc1)C1CCC1 InChI=1S/C28H35N5O/c34-28(24-12-7-13-24)30-26(23-10-5-2-6-11-23)16-19-32-17-14-25(15-18-32)33-21-29-27(31-33)20-22-8-3-1-4-9-22/h1-6,8-11,21,24-26H,7,12-20H2,(H,30,34)/t26-/m0/s1 HJIFNRLOZKIKIM-SANMLTNESA-N 50189394 (S)-N-(3-(4-(3-benzyl-1H-1,2,4-triazol-1-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide::CHEMBL212437 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189394&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415847 104073027 CHEMBL212437 ZINC38147802 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350699 Cc1nc2ccccc2n1C1CC2COCC(C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23?,24?,25?,26-/m0/s1 PIYDNEWDZZFKKO-ILVMPNSOSA-N 50189395 CHEMBL413501::N-((S)-3-(7-(2-methyl-1H-benzo[d]imidazol-1-yl)-3-oxa-9-aza-bicyclo[3.3.1]nonan-9-yl)-1-phenylpropyl)cyclobutanecarboxamide C-C chemokine receptor type 5 39 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189395&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415821 104073028 CHEMBL413501 ZINC35952745 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350700 Cc1nc(no1)C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 InChI=1S/C22H30N4O2/c1-16-23-21(25-28-16)18-10-13-26(14-11-18)15-12-20(17-6-3-2-4-7-17)24-22(27)19-8-5-9-19/h2-4,6-7,18-20H,5,8-15H2,1H3,(H,24,27)/t20-/m0/s1 VOLKYJGHYYEMMU-FQEVSTJZSA-N 50189396 (S)-N-(3-(4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide::CHEMBL213009 C-C chemokine receptor type 5 70 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189396&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415783 104073029 CHEMBL213009 ZINC38147804 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350701 O=C(N[C@@H](CCN1CCC(CC1)c1noc(Cc2ccccc2)n1)c1ccccc1)C1CCC1 InChI=1S/C28H34N4O2/c33-28(24-12-7-13-24)29-25(22-10-5-2-6-11-22)16-19-32-17-14-23(15-18-32)27-30-26(34-31-27)20-21-8-3-1-4-9-21/h1-6,8-11,23-25H,7,12-20H2,(H,29,33)/t25-/m0/s1 WJRHWKLKYSTKDD-VWLOTQADSA-N 50189397 (S)-N-(3-(4-(5-benzyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide::CHEMBL213541 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189397&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415740 104073030 CHEMBL213541 ZINC34013725 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350702 Cc1nc2ccccc2n1C1CC11CC2CCC1N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C30H36N4O/c1-20-31-25-12-5-6-13-26(25)34(20)28-19-30(28)18-23-14-15-27(30)33(23)17-16-24(21-8-3-2-4-9-21)32-29(35)22-10-7-11-22/h2-6,8-9,12-13,22-24,27-28H,7,10-11,14-19H2,1H3,(H,32,35)/t23?,24-,27?,28?,30?/m0/s1 BJENQUZWMHDDIJ-GVCKKYRWSA-N 50189400 CHEMBL213914::N-[(1S)-3-[2'-(2-methyl-1H-1,3-benzodiazol-1-yl)-7-azaspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-7-yl]-1-phenylpropyl]cyclobutanecarboxamide C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189400&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415820 104073033 CHEMBL213914 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350703 Fc1ccc(CC(=O)NC2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)cc1 InChI=1S/C27H34FN3O2/c28-23-11-9-20(10-12-23)19-26(32)29-24-13-16-31(17-14-24)18-15-25(21-5-2-1-3-6-21)30-27(33)22-7-4-8-22/h1-3,5-6,9-12,22,24-25H,4,7-8,13-19H2,(H,29,32)(H,30,33)/t25-/m0/s1 YQOKDKXYGHIVEJ-VWLOTQADSA-N 50189399 (S)-N-(3-(4-(2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide::CHEMBL377914 C-C chemokine receptor type 5 0.7 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189399&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415755 104073032 CHEMBL377914 ZINC38147806 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350704 Cc1nnc(Cc2ccccc2)n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 InChI=1S/C29H37N5O/c1-22-31-32-28(21-23-9-4-2-5-10-23)34(22)26-15-18-33(19-16-26)20-17-27(24-11-6-3-7-12-24)30-29(35)25-13-8-14-25/h2-7,9-12,25-27H,8,13-21H2,1H3,(H,30,35)/t27-/m0/s1 RYABNTCCFFMRSK-MHZLTWQESA-N 50189398 (S)-N-(3-(4-(3-benzyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide::CHEMBL212017 C-C chemokine receptor type 5 250 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189398&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415756 104073031 CHEMBL212017 ZINC38147805 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50350705 Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C29H36N4O/c1-20-30-27-12-5-6-13-28(27)33(20)25-18-23-14-15-24(19-25)32(23)17-16-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23?,24?,25?,26-/m0/s1 XZCJCPMLMYYDQU-ILVMPNSOSA-N 50189401 CHEMBL214818::N-((S)-3-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclobutanecarboxamide C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2006.06.012 10.7270/Q2QF8SHW 16782336 Price, DA; Armour, D; de Groot, M; Leishman, D; Napier, C; Perros, M; Stammen, BL; Wood, A Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189401&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44415800 104073034 CHEMBL214818 ZINC13916820 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50346484 FC(F)(F)c1cc(CNC(=O)[C@@H](NCCN2CCCCC2)c2ccsc2)cc(c1)C(F)(F)F InChI=1S/C22H25F6N3OS/c23-21(24,25)17-10-15(11-18(12-17)22(26,27)28)13-30-20(32)19(16-4-9-33-14-16)29-5-8-31-6-2-1-3-7-31/h4,9-12,14,19,29H,1-3,5-8,13H2,(H,30,32)/t19-/m0/s1 NLWNSKCTNYPJQF-IBGZPJMESA-N 50187033 (S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piperidin-1-yl)ethylamino)-2-(thiophen-3-yl)acetamide::CHEMBL211775 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/j.bmcl.2006.04.045 10.7270/Q2N01645 16698264 Yang, L; Zhou, C; Guo, L; Morriello, G; Butora, G; Pasternak, A; Parsons, WH; Mills, SG; MacCoss, M; Vicario, PP; Zweerink, H; Ayala, JM; Goyal, S; Hanlon, WA; Cascieri, MA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10323427 104071072 CHEMBL211775 ZINC34804147 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50355501 Fc1ccc(cc1)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F InChI=1S/C32H29F7N2O/c33-26-7-5-22(6-8-26)27(10-14-41-15-12-30(13-16-41)11-9-23-3-1-2-4-28(23)30)29(42)40-20-21-17-24(31(34,35)36)19-25(18-21)32(37,38)39/h1-9,11,17-19,27H,10,12-16,20H2,(H,40,42)/t27-/m0/s1 OPHYHBRVLAQKEG-MHZLTWQESA-N 50191813 (2S)-N-[3,5-bis(trifluoromethyl)benzyl]-2-(4-fluorophenyl)-4-(1'H-spiro[indene-1,4'-piperidin]-1'yl)butanamide::CHEMBL277279 C-C chemokine receptor type 5 30 ChEMBL 10.1021/jm060439n 10.7270/Q2VQ329M 16884289 Pasternak, A; Marino, D; Vicario, PP; Ayala, JM; Cascierri, MA; Parsons, W; Mills, SG; Maccoss, M; Yang, L Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50191813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50191813&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11844212 104074824 CHEMBL277279 ZINC34804262 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50355516 Fc1ccc(cc1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F InChI=1S/C30H29F7N2O/c31-26-8-6-23(7-9-26)27(12-15-39-13-10-22(11-14-39)21-4-2-1-3-5-21)28(40)38-19-20-16-24(29(32,33)34)18-25(17-20)30(35,36)37/h1-9,16-18,22,27H,10-15,19H2,(H,38,40)/t27-/m0/s1 TWDSSLGDUOHXCF-MHZLTWQESA-N 50192278 (2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(4-phenylpiperidin-1-yl)butanamide::CHEMBL209899 C-C chemokine receptor type 5 72 ChEMBL 10.1021/jm060439n 10.7270/Q2VQ329M 16884289 Pasternak, A; Marino, D; Vicario, PP; Ayala, JM; Cascierri, MA; Parsons, W; Mills, SG; Maccoss, M; Yang, L Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50192278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50192278&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9873546 104075200 CHEMBL209899 ZINC03949909 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50354813 C\C=C(/C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1C(=O)C1C(=O)N[C@H](C[C@](C)(O)C(O)=O)C1=O InChI=1S/C25H37NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6,12,14-20,32H,7-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+/t12-,14+,15-,16+,17-,18-,19-,20?,25+/m1/s1 DKNBWAFULNYPTO-UFMACYIUSA-N 50269358 (S)-3-((R,Z)-4-(((1S,2R,4aR,6R,8S,8aR)-2-((E)-but-2-en-2-yl)-6,8-dimethyl-decahydronaphthalen-1-yl)(hydroxy)methylene)-3,5-dioxopyrrolidin-2-yl)-2-hydroxy-2-methylpropanoic acid::CHEMBL495654 C-C chemokine receptor type 5 1200 ChEMBL 10.1021/np060121y 10.7270/Q2WM1D6X 16872138 Yang, SW; Mierzwa, R; Terracciano, J; Patel, M; Gullo, V; Wagner, N; Baroudy, B; Puar, M; Chan, TM; McPhail, AT; Chu, M Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269358&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91935149 104115180 CHEMBL495654 ZINC40953384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50354814 C\C=C(/C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1C(=O)C1C(=O)N[C@H](C[C@@](C)(O)C(O)=O)C1=O InChI=1S/C25H37NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6,12,14-20,32H,7-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+/t12-,14+,15-,16+,17-,18-,19-,20?,25-/m1/s1 DKNBWAFULNYPTO-HAQBXQSMSA-N 50269359 (R)-3-((R,Z)-4-(((1S,2R,4aR,6R,8S,8aR)-2-((E)-but-2-en-2-yl)-6,8-dimethyl-decahydronaphthalen-1-yl)(hydroxy)methylene)-3,5-dioxopyrrolidin-2-yl)-2-hydroxy-2-methylpropanoic acid::CHEMBL495854 C-C chemokine receptor type 5 79000 ChEMBL 10.1021/np060121y 10.7270/Q2WM1D6X 16872138 Yang, SW; Mierzwa, R; Terracciano, J; Patel, M; Gullo, V; Wagner, N; Baroudy, B; Puar, M; Chan, TM; McPhail, AT; Chu, M Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50269359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50269359&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91935150 104115181 CHEMBL495854 ZINC40956748 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364225 CC(=NN=C(N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22) PBBMNRLZQDKFFX-UHFFFAOYSA-N 50197749 (2Z)-2-(1-{5-chloro-2-[(4-chlorobenzyl)oxy]phenyl}ethylidene)hydrazinecarboximidamide::CHEMBL240018 C-C chemokine receptor type 5 8500 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728642 104078967 CHEMBL240018 ZINC28888849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364226 CC(C)(C)c1ccc(OCc2ccc(Cl)cc2)c(C=NN=C(N)N)c1 InChI=1S/C19H23ClN4O/c1-19(2,3)15-6-9-17(14(10-15)11-23-24-18(21)22)25-12-13-4-7-16(20)8-5-13/h4-11H,12H2,1-3H3,(H4,21,22,24) RQABRMDJDHEIHT-UHFFFAOYSA-N 50197750 (2E)-2-{5-tert-butyl-2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL240838 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728634 104078968 CHEMBL240838 ZINC28888722 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364227 COc1cc(Br)cc(C(C)=NN=C(N)N)c1OCc1ccc(cc1)C#N InChI=1S/C18H18BrN5O2/c1-11(23-24-18(21)22)15-7-14(19)8-16(25-2)17(15)26-10-13-5-3-12(9-20)4-6-13/h3-8H,10H2,1-2H3,(H4,21,22,24) JEKXZRYTQDSVHG-UHFFFAOYSA-N 50197753 (2E)-2-(1-{5-bromo-2-[(4-cyanobenzyl)oxy]-3-methoxyphenyl}ethylidene)hydrazinecarboximidamide::CHEMBL241475 C-C chemokine receptor type 5 93 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197753&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44439313 104078971 CHEMBL241475 ZINC28888881 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364228 NC(N)=NN=Cc1cc(N)ccc1OCc1ccc(Cl)cc1 InChI=1S/C15H16ClN5O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9,17H2,(H4,18,19,21) XBMDVAOJYUQQFE-UHFFFAOYSA-N 50197752 (2E)-2-{5-amino-2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL391329 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728640 104078970 CHEMBL391329 ZINC28888805 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364229 NC(N)=NN=Cc1ccccc1OCc1ccc(Cl)cc1 InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20) QLZIJPLTRJOVDN-UHFFFAOYSA-N 50197751 (2E)-2-{2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL449045 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5347695 104078969 CHEMBL449045 ZINC04672479 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364230 CC(C)CC(=NN=C(N)N)c1cc(Cl)ccc1OCc1ccc(F)cc1 InChI=1S/C19H22ClFN4O/c1-12(2)9-17(24-25-19(22)23)16-10-14(20)5-8-18(16)26-11-13-3-6-15(21)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H4,22,23,25) FAEXFYFMKLSXBK-UHFFFAOYSA-N 50197755 (2E)-2-(1-{5-chloro-2-[(4-fluorobenzyl)oxy]phenyl}-3-methylbutylidene)hydrazinecarboximidamide::CHEMBL241477 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728646 104078973 CHEMBL241477 ZINC28888898 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364231 COc1cc(Br)cc(C=NN=C(N)N)c1OCc1ccc(Cl)cc1 InChI=1S/C16H16BrClN4O2/c1-23-14-7-12(17)6-11(8-21-22-16(19)20)15(14)24-9-10-2-4-13(18)5-3-10/h2-8H,9H2,1H3,(H4,19,20,22) PGCSGHLAKPSCJY-UHFFFAOYSA-N 50197754 (2E)-2-{5-bromo-2-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}hydrazinecarboximidamide::CHEMBL238759 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728641 104078972 CHEMBL238759 ZINC28888832 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364232 COC(=O)c1ccc(OCc2ccc(Cl)cc2)c(C=NN=C(N)N)c1 InChI=1S/C17H17ClN4O3/c1-24-16(23)12-4-7-15(13(8-12)9-21-22-17(19)20)25-10-11-2-5-14(18)6-3-11/h2-9H,10H2,1H3,(H4,19,20,22) FSQLNHZYUWYFSL-UHFFFAOYSA-N 50197756 CHEMBL391128::methyl 3-((E)-{[amino(imino)methyl]hydrazono}methyl)-4-[(4-chlorobenzyl)oxy]benzoate C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728638 104078974 CHEMBL391128 ZINC28888795 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364233 COC(=O)c1cccc(COc2ccc(Br)cc2C=NN=C(N)N)c1 InChI=1S/C17H17BrN4O3/c1-24-16(23)12-4-2-3-11(7-12)10-25-15-6-5-14(18)8-13(15)9-21-22-17(19)20/h2-9H,10H2,1H3,(H4,19,20,22) UFSDZOOUKAFROJ-UHFFFAOYSA-N 50197757 CHEMBL238949::methyl 3-{[2-((E)-{[amino(imino)methyl]hydrazono}methyl)-4-bromophenoxy]methyl}benzoate C-C chemokine receptor type 5 1600 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728619 104078975 CHEMBL238949 ZINC28888614 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364234 CCN(CC)c1ccc(OCc2ccc(Cl)cc2)c(C=NN=C(N)N)c1 InChI=1S/C19H24ClN5O/c1-3-25(4-2)17-9-10-18(15(11-17)12-23-24-19(21)22)26-13-14-5-7-16(20)8-6-14/h5-12H,3-4,13H2,1-2H3,(H4,21,22,24) YLKIUANKAYKVOD-UHFFFAOYSA-N 50197758 (2E)-2-[2-[(4-chlorobenzyl)oxy]-5-(diethylamino)benzylidene]hydrazinecarboximidamide::CHEMBL241468 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197758&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728639 104078976 CHEMBL241468 ZINC28888799 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364235 Cc1ccc(COc2ccc(Br)cc2C=NN=C(N)N)cc1 InChI=1S/C16H17BrN4O/c1-11-2-4-12(5-3-11)10-22-15-7-6-14(17)8-13(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21) KSIMXKBDGLZJLW-UHFFFAOYSA-N 50197759 (2E)-2-{5-bromo-2-[(4-methylbenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL239154 C-C chemokine receptor type 5 500 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197759&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728621 104078977 CHEMBL239154 ZINC28888635 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364236 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1F InChI=1S/C15H13BrF2N4O/c16-11-2-4-14(10(5-11)7-21-22-15(19)20)23-8-9-1-3-12(17)6-13(9)18/h1-7H,8H2,(H4,19,20,22) WFXPFRXCICBYRJ-UHFFFAOYSA-N 50197760 1-[(E)-({5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl}methylidene)amino]guanidine::CHEMBL393069 C-C chemokine receptor type 5 3700 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197760&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728627 104078978 CHEMBL393069 ZINC28888687 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364237 NC(N)=NN=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 InChI=1S/C15H13Cl3N4O/c16-11-3-1-9(2-4-11)8-23-14-10(7-21-22-15(19)20)5-12(17)6-13(14)18/h1-7H,8H2,(H4,19,20,22) XRPNYJROVCICCR-UHFFFAOYSA-N 50197761 (2E)-2-{3,5-dichloro-2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL240641 C-C chemokine receptor type 5 3100 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197761&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728632 104078979 CHEMBL240641 ZINC28888714 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364238 NC(N)=NN=Cc1cc(Br)ccc1OCc1cccc(c1)C#N InChI=1S/C16H14BrN5O/c17-14-4-5-15(13(7-14)9-21-22-16(19)20)23-10-12-3-1-2-11(6-12)8-18/h1-7,9H,10H2,(H4,19,20,22) XXQTVGRMOYZCQQ-UHFFFAOYSA-N 50197762 (2E)-2-{5-bromo-2-[(3-cyanobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL240637 C-C chemokine receptor type 5 2000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728614 104078980 CHEMBL240637 ZINC28888471 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364239 Clc1ccc(COc2ccc(Br)cc2C=NN=C2NCCN2)cc1 InChI=1S/C17H16BrClN4O/c18-14-3-6-16(24-11-12-1-4-15(19)5-2-12)13(9-14)10-22-23-17-20-7-8-21-17/h1-6,9-10H,7-8,11H2,(H2,20,21,23) XLMJWDVPQVWOKY-UHFFFAOYSA-N 50197763 (E)-1-(2-(4-chlorobenzyloxy)-5-bromobenzylidene)-2-(4,5-dihydro-1H-imidazol-2-yl)hydrazine::CHEMBL394685 C-C chemokine receptor type 5 750 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197763&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728647 104078981 CHEMBL394685 ZINC28888901 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364240 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 InChI=1S/C15H14BrFN4O/c16-12-3-6-14(11(7-12)8-20-21-15(18)19)22-9-10-1-4-13(17)5-2-10/h1-8H,9H2,(H4,18,19,21) CSJBWXMVHCGKCK-UHFFFAOYSA-N 50197766 (2E)-2-{5-bromo-2-[(4-fluorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL397296 C-C chemokine receptor type 5 800 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197766&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728611 104078984 CHEMBL397296 ZINC28888441 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364241 COc1ccc(COc2ccc(Br)cc2C=NN=C(N)N)cc1 InChI=1S/C16H17BrN4O2/c1-22-14-5-2-11(3-6-14)10-23-15-7-4-13(17)8-12(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21) RABXMKGMSDLPOP-UHFFFAOYSA-N 50197765 (2E)-2-{5-bromo-2-[(4-methoxybenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL238545 C-C chemokine receptor type 5 700 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197765&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728623 104078983 CHEMBL238545 ZINC28888649 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364242 NC(N)=NN=Cc1cccc(Cl)c1OCc1ccc(Cl)cc1 InChI=1S/C15H14Cl2N4O/c16-12-6-4-10(5-7-12)9-22-14-11(2-1-3-13(14)17)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) SGHOAGWVZISSEO-UHFFFAOYSA-N 50197764 (2E)-2-{3-chloro-2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL238738 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728637 104078982 CHEMBL238738 ZINC28888789 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364243 NC(N)=NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 InChI=1S/C15H14Cl2N4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) NWKLJRLZQCJPAE-UHFFFAOYSA-N 50197767 (2E)-2-{5-chloro-2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL240639 C-C chemokine receptor type 5 600 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197767&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728629 104078985 CHEMBL240639 ZINC28888700 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364244 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccc(cc1)[N+]([O-])=O InChI=1S/C15H14BrN5O3/c16-12-3-6-14(11(7-12)8-19-20-15(17)18)24-9-10-1-4-13(5-2-10)21(22)23/h1-8H,9H2,(H4,17,18,20) MGHWQFUDABCMQA-UHFFFAOYSA-N 50197770 (2E)-2-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL395607 C-C chemokine receptor type 5 900 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197770&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728615 104078988 CHEMBL395607 ZINC28888472 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364245 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 InChI=1S/C15H14Br2N4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) DHFRDDVNZWBNEH-UHFFFAOYSA-N 50197769 (2E)-2-{5-bromo-2-[(4-bromobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL240260 C-C chemokine receptor type 5 600 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197769&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728612 104078987 CHEMBL240260 ZINC28888461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364246 COC(=O)c1ccc(COc2ccc(Br)cc2C=NN=C(N)N)cc1 InChI=1S/C17H17BrN4O3/c1-24-16(23)12-4-2-11(3-5-12)10-25-15-7-6-14(18)8-13(15)9-21-22-17(19)20/h2-9H,10H2,1H3,(H4,19,20,22) SRLVQTIMOXASFQ-UHFFFAOYSA-N 50197768 CHEMBL241251::methyl 4-{[2-((E)-{[amino(imino)methyl]hydrazono}methyl)-4-bromophenoxy]methyl}benzoate C-C chemokine receptor type 5 1300 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197768&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728618 104078986 CHEMBL241251 ZINC28888601 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364247 NC(N)=NN=Cc1cccc(F)c1OCc1ccc(Cl)cc1 InChI=1S/C15H14ClFN4O/c16-12-6-4-10(5-7-12)9-22-14-11(2-1-3-13(14)17)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) AYUTVIVIEVCEQQ-UHFFFAOYSA-N 50197771 (2E)-2-{2-[(4-chlorobenzyl)oxy]-3-fluorobenzylidene}hydrazinecarboximidamide::CHEMBL395844 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197771&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728633 104078989 CHEMBL395844 ZINC28888719 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364248 CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C16H17BrClNO/c1-19(2)10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9H,10-11H2,1-2H3 GNJMHFOKSMUCQM-UHFFFAOYSA-N 50197772 (2-(4-chlorobenzyloxy)-5-bromophenyl)-N,N-dimethylmethanamine::CHEMBL234461 C-C chemokine receptor type 5 600 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197772&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11210440 104078990 CHEMBL234461 ZINC28821974 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364249 Clc1ccc(COc2ccc(Br)cc2C=NNC2=NCCCN2)cc1 InChI=1S/C18H18BrClN4O/c19-15-4-7-17(25-12-13-2-5-16(20)6-3-13)14(10-15)11-23-24-18-21-8-1-9-22-18/h2-7,10-11H,1,8-9,12H2,(H2,21,22,24) VETHFKMPZFBLAN-UHFFFAOYSA-N 50197773 (E)-1-(2-(4-chlorobenzyloxy)-5-bromobenzylidene)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine::CHEMBL439223 C-C chemokine receptor type 5 2000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197773&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728649 104078991 CHEMBL439223 ZINC28888911 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364250 CN(\N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C1=NCCN1 InChI=1S/C18H18BrClN4O/c1-24(18-21-8-9-22-18)23-11-14-10-15(19)4-7-17(14)25-12-13-2-5-16(20)6-3-13/h2-7,10-11H,8-9,12H2,1H3,(H,21,22)/b23-11+ RJONEYLWTIRFHR-FOKLQQMPSA-N 50197774 (E)-2-(2-(4-chlorobenzyloxy)-5-bromobenzylidene)-1-(4,5-dihydro-1H-imidazol-2-yl)-1-methylhydrazine::CHEMBL240037 C-C chemokine receptor type 5 14000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197774&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728648 104078992 CHEMBL240037 ZINC28888907 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364251 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccc(cc1)C#N InChI=1S/C16H14BrN5O/c17-14-5-6-15(13(7-14)9-21-22-16(19)20)23-10-12-3-1-11(8-18)2-4-12/h1-7,9H,10H2,(H4,19,20,22) FVGXMBDNWLAUPQ-UHFFFAOYSA-N 50197775 (2E)-2-{5-bromo-2-[(4-cyanobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL240636 C-C chemokine receptor type 5 480 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197775&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728613 104078993 CHEMBL240636 ZINC28888466 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364252 CCCCC(=NN=C(N)N)c1cc(Cl)ccc1OCc1ccc(F)cc1 InChI=1S/C19H22ClFN4O/c1-2-3-4-17(24-25-19(22)23)16-11-14(20)7-10-18(16)26-12-13-5-8-15(21)9-6-13/h5-11H,2-4,12H2,1H3,(H4,22,23,25) DHMVPNMPUUQYSB-UHFFFAOYSA-N 50197779 (2E)-2-(1-{5-chloro-2-[(4-fluorobenzyl)oxy]phenyl}pentylidene)hydrazinecarboximidamide::CHEMBL394684 C-C chemokine receptor type 5 4200 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197779&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728645 104078997 CHEMBL394684 ZINC28888893 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364253 CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C18H21BrClNO/c1-3-21(4-2)12-15-11-16(19)7-10-18(15)22-13-14-5-8-17(20)9-6-14/h5-11H,3-4,12-13H2,1-2H3 WVXRYEWVSGIEJA-UHFFFAOYSA-N 50197778 CHEMBL234634::N-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-N-ethylethanamine C-C chemokine receptor type 5 1400 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197778&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11350639 104078996 CHEMBL234634 ZINC28821979 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364254 NC(N)=NN=Cc1cc(ccc1OCc1ccc(Cl)cc1)[N+]([O-])=O InChI=1S/C15H14ClN5O3/c16-12-3-1-10(2-4-12)9-24-14-6-5-13(21(22)23)7-11(14)8-19-20-15(17)18/h1-8H,9H2,(H4,17,18,20) PXMBUQVULVWSQL-UHFFFAOYSA-N 50197776 (2E)-2-{2-[(4-chlorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboximidamide::CHEMBL395843 C-C chemokine receptor type 5 1200 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197776&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728630 104078994 CHEMBL395843 ZINC28888704 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364255 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccc(OCc2ccccc2)cc1 InChI=1S/C22H21BrN4O2/c23-19-8-11-21(18(12-19)13-26-27-22(24)25)29-15-17-6-9-20(10-7-17)28-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H4,24,25,27) DFOUHRPBSZIALE-UHFFFAOYSA-N 50197777 (2E)-2-(2-{[4-(benzyloxy)benzyl]oxy}-5-bromobenzylidene)hydrazinecarboximidamide::CHEMBL238546 C-C chemokine receptor type 5 2900 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197777&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728624 104078995 CHEMBL238546 ZINC28888654 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364256 Cc1cccc(COc2ccc(Br)cc2C=NN=C(N)N)c1 InChI=1S/C16H17BrN4O/c1-11-3-2-4-12(7-11)10-22-15-6-5-14(17)8-13(15)9-20-21-16(18)19/h2-9H,10H2,1H3,(H4,18,19,21) BXNNMNYBEAAGHU-UHFFFAOYSA-N 50197782 (2E)-2-{5-bromo-2-[(3-methylbenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL239783 C-C chemokine receptor type 5 1700 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197782&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728622 104079000 CHEMBL239783 ZINC28888644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375817 CCN(CC)CCCNc1c(CC(C)=C)c(C)c(C#N)c2nc3ccccc3n12 InChI=1S/C24H31N5/c1-6-28(7-2)14-10-13-26-23-19(15-17(3)4)18(5)20(16-25)24-27-21-11-8-9-12-22(21)29(23)24/h8-9,11-12,26H,3,6-7,10,13-15H2,1-2,4-5H3 MTDJLYRNZKODDY-UHFFFAOYSA-N 50205732 1-(3-diethylamino-propylamino)-3-methyl-2-(2-methyl-allyl)-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile::CHEMBL223686 C-C chemokine receptor type 5 1900 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205732&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3258407 104084019 CHEMBL223686 ZINC04674992 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375818 Cc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)n1-c1ccc(C)cc1 InChI=1S/C24H29N5OS/c1-18-8-10-22(11-9-18)29-19(2)26-27-24(29)31-17-23(30)25-21-12-14-28(15-13-21)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H,25,30) WJABKWBLECVSTB-UHFFFAOYSA-N 50205733 CHEMBL219769::N-(1-benzylpiperidin-4-yl)-2-(5-methyl-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)acetamide C-C chemokine receptor type 5 13500 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16301115 104084020 CHEMBL219769 ZINC09717089 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375819 Cc1ccc(CN2CCC(CNC(=O)C3CCN(CC3)c3ccc(nn3)-c3cccs3)C2)cc1 InChI=1S/C27H33N5OS/c1-20-4-6-21(7-5-20)18-31-13-10-22(19-31)17-28-27(33)23-11-14-32(15-12-23)26-9-8-24(29-30-26)25-3-2-16-34-25/h2-9,16,22-23H,10-15,17-19H2,1H3,(H,28,33) JTDVOOWYOMRNCY-UHFFFAOYSA-N 50205734 1-(6-thiophen-2-yl-pyridazin-3-yl)-piperidine-4-carboxylic acid [1-(4-methyl-benzyl)-pyrrolidin-3-ylmethyl]-amide::CHEMBL220199 C-C chemokine receptor type 5 5800 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16726107 104084021 CHEMBL220199 ZINC09686365 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375820 Cc1ccc(CN2CCC(CNC(=O)C3CCN(CC3)c3ccc(nn3)-c3cccs3)C2)cc1 InChI=1S/C27H33N5OS/c1-20-4-6-21(7-5-20)18-31-13-10-22(19-31)17-28-27(33)23-11-14-32(15-12-23)26-9-8-24(29-30-26)25-3-2-16-34-25/h2-9,16,22-23H,10-15,17-19H2,1H3,(H,28,33) JTDVOOWYOMRNCY-UHFFFAOYSA-N 50205734 1-(6-thiophen-2-yl-pyridazin-3-yl)-piperidine-4-carboxylic acid [1-(4-methyl-benzyl)-pyrrolidin-3-ylmethyl]-amide::CHEMBL220199 C-C chemokine receptor type 5 1100 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16726107 104084021 CHEMBL220199 ZINC09686365 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375821 CN1CCN(Cc2ccc(NC(=O)CSc3nnc(C)n3-c3ccccc3)c(C)c2)CC1 InChI=1S/C24H30N6OS/c1-18-15-20(16-29-13-11-28(3)12-14-29)9-10-22(18)25-23(31)17-32-24-27-26-19(2)30(24)21-7-5-4-6-8-21/h4-10,15H,11-14,16-17H2,1-3H3,(H,25,31) NCUOTEHZEQAFPV-UHFFFAOYSA-N 50205735 CHEMBL219770::N-(2-methyl-4-((4-methylpiperazin-1-yl)methyl)phenyl)-2-(5-methyl-4-phenyl-4H-1,2,4-triazol-3-ylthio)acetamide C-C chemokine receptor type 5 2000 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728788 104084022 CHEMBL219770 ZINC38151349 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375822 Cc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)n1-c1ccc(C)cc1 InChI=1S/C24H29N5OS/c1-18-8-10-22(11-9-18)29-19(2)26-27-24(29)31-17-23(30)25-21-12-14-28(15-13-21)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H,25,30) WJABKWBLECVSTB-UHFFFAOYSA-N 50205733 CHEMBL219769::N-(1-benzylpiperidin-4-yl)-2-(5-methyl-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)acetamide C-C chemokine receptor type 5 269200 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16301115 104084020 CHEMBL219769 ZINC09717089 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375823 Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1 InChI=1S/C26H33N5OS/c1-20-11-12-23(21(2)17-20)27-25(32)19-33-26-29-28-24(13-16-30-14-7-4-8-15-30)31(26)18-22-9-5-3-6-10-22/h3,5-6,9-12,17H,4,7-8,13-16,18-19H2,1-2H3,(H,27,32) PLBSRBWBXBTGAA-UHFFFAOYSA-N 50205736 2-(4-benzyl-5-(2-(piperidin-1-yl)ethyl)-4H-1,2,4-triazol-3-ylthio)-N-(2,4-dimethylphenyl)acetamide::CHEMBL219781 C-C chemokine receptor type 5 17000 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 1167892 104084023 CHEMBL219781 ZINC00922101 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375824 Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1 InChI=1S/C26H33N5OS/c1-20-11-12-23(21(2)17-20)27-25(32)19-33-26-29-28-24(13-16-30-14-7-4-8-15-30)31(26)18-22-9-5-3-6-10-22/h3,5-6,9-12,17H,4,7-8,13-16,18-19H2,1-2H3,(H,27,32) PLBSRBWBXBTGAA-UHFFFAOYSA-N 50205736 2-(4-benzyl-5-(2-(piperidin-1-yl)ethyl)-4H-1,2,4-triazol-3-ylthio)-N-(2,4-dimethylphenyl)acetamide::CHEMBL219781 C-C chemokine receptor type 5 3000 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 1167892 104084023 CHEMBL219781 ZINC00922101 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375825 Fc1ccc(Cn2nnnc2C(N2CCN(CC2)C2CCCCC2)c2ccccc2F)cc1 InChI=1S/C25H30F2N6/c26-20-12-10-19(11-13-20)18-33-25(28-29-30-33)24(22-8-4-5-9-23(22)27)32-16-14-31(15-17-32)21-6-2-1-3-7-21/h4-5,8-13,21,24H,1-3,6-7,14-18H2 VLTCVGABAUANGJ-UHFFFAOYSA-N 50205737 1-((1-(4-fluorobenzyl)-1H-tetrazol-5-yl)(2-fluorophenyl)methyl)-4-cyclohexylpiperazine::CHEMBL375591 C-C chemokine receptor type 5 >100000 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3209888 104084024 CHEMBL375591 ZINC22929399 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375826 CCN(CC)CCCNc1c(CC(C)=C)c(C)c(C#N)c2nc3ccccc3n12 InChI=1S/C24H31N5/c1-6-28(7-2)14-10-13-26-23-19(15-17(3)4)18(5)20(16-25)24-27-21-11-8-9-12-22(21)29(23)24/h8-9,11-12,26H,3,6-7,10,13-15H2,1-2,4-5H3 MTDJLYRNZKODDY-UHFFFAOYSA-N 50205732 1-(3-diethylamino-propylamino)-3-methyl-2-(2-methyl-allyl)-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile::CHEMBL223686 C-C chemokine receptor type 5 22400 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205732&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3258407 104084019 CHEMBL223686 ZINC04674992 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375827 Fc1ccc(Cn2nnnc2C(N2CCN(CC2)C2CCCCC2)c2ccccc2F)cc1 InChI=1S/C25H30F2N6/c26-20-12-10-19(11-13-20)18-33-25(28-29-30-33)24(22-8-4-5-9-23(22)27)32-16-14-31(15-17-32)21-6-2-1-3-7-21/h4-5,8-13,21,24H,1-3,6-7,14-18H2 VLTCVGABAUANGJ-UHFFFAOYSA-N 50205737 1-((1-(4-fluorobenzyl)-1H-tetrazol-5-yl)(2-fluorophenyl)methyl)-4-cyclohexylpiperazine::CHEMBL375591 C-C chemokine receptor type 5 79400 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3209888 104084024 CHEMBL375591 ZINC22929399 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375828 O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NCCc1ccccc1 InChI=1S/C26H32N4O2S/c31-24(27-15-14-21-10-3-1-4-11-21)20-33-26-28-23-13-6-5-12-22(23)25(32)30(26)19-9-18-29-16-7-2-8-17-29/h1,3-6,10-13H,2,7-9,14-20H2,(H,27,31) MEYBQPYUGFRCTC-UHFFFAOYSA-N 50205738 2-(4-oxo-3-(3-(piperidin-1-yl)propyl)-3,4-dihydroquinazolin-2-ylthio)-N-phenethylacetamide::CHEMBL426385 C-C chemokine receptor type 5 49000 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 4080740 104084025 CHEMBL426385 ZINC20644035 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375829 CN1CCN(Cc2ccc(NC(=O)CSc3nnc(C)n3-c3ccccc3)c(C)c2)CC1 InChI=1S/C24H30N6OS/c1-18-15-20(16-29-13-11-28(3)12-14-29)9-10-22(18)25-23(31)17-32-24-27-26-19(2)30(24)21-7-5-4-6-8-21/h4-10,15H,11-14,16-17H2,1-3H3,(H,25,31) NCUOTEHZEQAFPV-UHFFFAOYSA-N 50205735 CHEMBL219770::N-(2-methyl-4-((4-methylpiperazin-1-yl)methyl)phenyl)-2-(5-methyl-4-phenyl-4H-1,2,4-triazol-3-ylthio)acetamide C-C chemokine receptor type 5 14100 ChEMBL 10.1021/jm061389p 10.7270/Q2KD1XK6 17311371 Kellenberger, E; Springael, JY; Parmentier, M; Hachet-Haas, M; Galzi, JL; Rognan, D CNRS UMR 7175-LC1 http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728788 104084022 CHEMBL219770 ZINC38151349 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364257 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccccc1[N+]([O-])=O InChI=1S/C15H14BrN5O3/c16-12-5-6-14(11(7-12)8-19-20-15(17)18)24-9-10-3-1-2-4-13(10)21(22)23/h1-8H,9H2,(H4,17,18,20) RMRUHZFGFPGUGH-UHFFFAOYSA-N 50197780 (2E)-2-{5-bromo-2-[(2-nitrobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL240655 C-C chemokine receptor type 5 5700 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197780&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728617 104078998 CHEMBL240655 ZINC28888489 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364258 CC(=NN=C(N)N)c1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C16H16BrClN4O/c1-10(21-22-16(19)20)14-8-12(17)4-7-15(14)23-9-11-2-5-13(18)6-3-11/h2-8H,9H2,1H3,(H4,19,20,22) TXYAHWSGXNNGSV-UHFFFAOYSA-N 50197781 (2E)-2-(1-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}ethylidene)hydrazinecarboximidamide::CHEMBL241097 C-C chemokine receptor type 5 200 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197781&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9869601 104078999 CHEMBL241097 ZINC28888844 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364259 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccc(cc1)-c1ccccc1 InChI=1S/C21H19BrN4O/c22-19-10-11-20(18(12-19)13-25-26-21(23)24)27-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,23,24,26) UASZKZLSQSTYJO-UHFFFAOYSA-N 50197786 (2E)-2-[2-(1,1'-biphenyl-4-ylmethoxy)-5-bromobenzylidene]hydrazinecarboximidamide::CHEMBL393068 C-C chemokine receptor type 5 1700 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197786&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728625 104079004 CHEMBL393068 ZINC28888670 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364260 NC(N)=NN=Cc1cc(Br)ccc1OCc1cccc(c1)[N+]([O-])=O InChI=1S/C15H14BrN5O3/c16-12-4-5-14(11(7-12)8-19-20-15(17)18)24-9-10-2-1-3-13(6-10)21(22)23/h1-8H,9H2,(H4,17,18,20) DKOIBNUSTBVSRG-UHFFFAOYSA-N 50197785 (2E)-2-{5-bromo-2-[(3-nitrobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL240638 C-C chemokine receptor type 5 1700 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197785&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728616 104079003 CHEMBL240638 ZINC28888483 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364261 NC(N)=NN=Cc1ccc(Cl)cc1OCc1ccc(Cl)cc1 InChI=1S/C15H14Cl2N4O/c16-12-4-1-10(2-5-12)9-22-14-7-13(17)6-3-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) REIBIJZUPUGDDY-UHFFFAOYSA-N 50197783 (2E)-2-{4-chloro-2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL241059 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197783&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728636 104079001 CHEMBL241059 ZINC28888741 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364262 COc1ccc(cc1COc1ccc(Br)cc1C=NN=C(N)N)[N+]([O-])=O InChI=1S/C16H16BrN5O4/c1-25-14-5-3-13(22(23)24)7-11(14)9-26-15-4-2-12(17)6-10(15)8-20-21-16(18)19/h2-8H,9H2,1H3,(H4,18,19,21) JKNUTYSKDFLYQX-UHFFFAOYSA-N 50197784 1-[(E)-({5-bromo-2-[(2-methoxy-5-nitrophenyl)methoxy]phenyl}methylidene)amino]guanidine::CHEMBL238549 C-C chemokine receptor type 5 8700 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197784&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728628 104079002 CHEMBL238549 ZINC28888693 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364263 CC(=NN=C(N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 InChI=1S/C16H16Cl2N4O/c1-10(21-22-16(19)20)14-8-13(18)6-7-15(14)23-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H4,19,20,22) PBBMNRLZQDKFFX-UHFFFAOYSA-N 50197787 (2E)-2-(1-{5-chloro-2-[(4-chlorobenzyl)oxy]phenyl}ethylidene)hydrazinecarboximidamide::CHEMBL393274 C-C chemokine receptor type 5 140 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197787&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728643 104079005 CHEMBL393274 ZINC28888859 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364264 NC(N)=NN=Cc1cc(F)ccc1OCc1ccc(Cl)cc1 InChI=1S/C15H14ClFN4O/c16-12-3-1-10(2-4-12)9-22-14-6-5-13(17)7-11(14)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) WGXFVCQKPVRXKR-UHFFFAOYSA-N 50197789 (2E)-2-{2-[(4-chlorobenzyl)oxy]-5-fluorobenzylidene}hydrazinecarboximidamide::CHEMBL240640 C-C chemokine receptor type 5 3400 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197789&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728631 104079007 CHEMBL240640 ZINC28888709 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364265 Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 InChI=1S/C18H19BrClNO2/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12-13H2 JUKUHNUKMFGLIK-UHFFFAOYSA-N 50197788 4-(2-(4-chlorobenzyloxy)-5-bromobenzyl)morpholine::CHEMBL391379 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197788&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11188669 104079006 CHEMBL391379 ZINC28822076 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364266 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccccc1 InChI=1S/C15H15BrN4O/c16-13-6-7-14(12(8-13)9-19-20-15(17)18)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,17,18,20) CNNMFPOACGPYMP-UHFFFAOYSA-N 50197791 (2E)-2-[2-(benzyloxy)-5-bromobenzylidene]hydrazinecarboximidamide::CHEMBL397295 C-C chemokine receptor type 5 1900 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197791&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728610 104079009 CHEMBL397295 ZINC01410743 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364267 CCC(=NN=C(N)N)c1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1 InChI=1S/C18H20BrClN4O2/c1-3-15(23-24-18(21)22)14-8-12(19)9-16(25-2)17(14)26-10-11-4-6-13(20)7-5-11/h4-9H,3,10H2,1-2H3,(H4,21,22,24) HITZYJJQRMZUFE-UHFFFAOYSA-N 50197793 (2E)-2-(1-{5-bromo-2-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}propylidene)hydrazinecarboximidamide::CHEMBL241476 C-C chemokine receptor type 5 400 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197793&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44439314 104079011 CHEMBL241476 ZINC28888887 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364268 NC(N)=NN=Cc1cc(Br)ccc1OCc1cccc(c1)C(O)=O InChI=1S/C16H15BrN4O3/c17-13-4-5-14(12(7-13)8-20-21-16(18)19)24-9-10-2-1-3-11(6-10)15(22)23/h1-8H,9H2,(H,22,23)(H4,18,19,21) VTEVXISKMNHGCW-UHFFFAOYSA-N 50197790 3-{[2-((E)-{[amino(imino)methyl]hydrazono}methyl)-4-bromophenoxy]methyl}benzoic acid::CHEMBL239153 C-C chemokine receptor type 5 39000 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197790&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728620 104079008 CHEMBL239153 ZINC28888621 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364269 NC(N)=NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C15H14BrClN4O/c16-12-3-6-14(11(7-12)8-20-21-15(18)19)22-9-10-1-4-13(17)5-2-10/h1-8H,9H2,(H4,18,19,21) GIUBSOFBEXFZNZ-UHFFFAOYSA-N 50197794 (2E)-2-{5-bromo-2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboximidamide::CHEMBL429641 C-C chemokine receptor type 5 840 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197794&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728609 104079012 CHEMBL429641 ZINC06472284 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364270 NC(N)=NN=Cc1cc(ccc1OCc1ccc(Cl)cc1)C#N InChI=1S/C16H14ClN5O/c17-14-4-1-11(2-5-14)10-23-15-6-3-12(8-18)7-13(15)9-21-22-16(19)20/h1-7,9H,10H2,(H4,19,20,22) VMXKYEDGYXPELZ-UHFFFAOYSA-N 50197795 (2E)-2-{2-[(4-chlorobenzyl)oxy]-5-cyanobenzylidene}hydrazinecarboximidamide::CHEMBL241057 C-C chemokine receptor type 5 600 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197795&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728635 104079013 CHEMBL241057 ZINC28888730 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364271 NC(N)=NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12 InChI=1S/C19H17BrN4O/c20-16-8-9-18(15(10-16)11-23-24-19(21)22)25-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H4,21,22,24) QLKXXQDSDZPRHD-UHFFFAOYSA-N 50197792 1-[(E)-{[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene}amino]guanidine::CHEMBL239998 C-C chemokine receptor type 5 1100 ChEMBL 10.1016/j.bmcl.2006.09.052 10.7270/Q2FQ9W8N 17081751 Wei, RG; Arnaiz, DO; Chou, YL; Davey, D; Dunning, L; Lee, W; Lu, SF; Onuffer, J; Ye, B; Phillips, G Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197792&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728626 104079010 CHEMBL239998 ZINC28888677 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375873 NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C20H24BrClN2O/c21-18-3-6-20(25-14-16-1-4-19(22)5-2-16)17(11-18)13-24-9-7-15(12-23)8-10-24/h1-6,11,15H,7-10,12-14,23H2 CZLPVTHTAMFNKP-UHFFFAOYSA-N 50205747 (1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-yl)methanamine::CHEMBL234844 C-C chemokine receptor type 5 1300 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431953 104084031 CHEMBL234844 ZINC28822110 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375874 CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C16H17BrClNO/c1-19(2)10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9H,10-11H2,1-2H3 GNJMHFOKSMUCQM-UHFFFAOYSA-N 50197772 (2-(4-chlorobenzyloxy)-5-bromophenyl)-N,N-dimethylmethanamine::CHEMBL234461 C-C chemokine receptor type 5 600 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197772&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11210440 104078990 CHEMBL234461 ZINC28821974 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375875 Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 InChI=1S/C18H19BrClNO2/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-21-7-9-22-10-8-21/h1-6,11H,7-10,12-13H2 JUKUHNUKMFGLIK-UHFFFAOYSA-N 50197788 4-(2-(4-chlorobenzyloxy)-5-bromobenzyl)morpholine::CHEMBL391379 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197788&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11188669 104079006 CHEMBL391379 ZINC28822076 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375876 Clc1ccc(COc2ccc(Br)cc2CN2CCNCC2)cc1 InChI=1S/C18H20BrClN2O/c19-16-3-6-18(23-13-14-1-4-17(20)5-2-14)15(11-16)12-22-9-7-21-8-10-22/h1-6,11,21H,7-10,12-13H2 LNRVEHHAKRFSJX-UHFFFAOYSA-N 50205748 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperazine::CHEMBL392658 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431931 104084032 CHEMBL392658 ZINC28822080 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375877 COC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C21H24BrClN2O3/c1-27-21(26)24-19-8-10-25(11-9-19)13-16-12-17(22)4-7-20(16)28-14-15-2-5-18(23)6-3-15/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26) AYIBIKRCBZSMCC-UHFFFAOYSA-N 50205749 CHEMBL234843::methyl 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-ylcarbamate C-C chemokine receptor type 5 400 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431951 104084033 CHEMBL234843 ZINC28822108 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375878 OC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C20H21BrClNO3/c21-17-3-6-19(26-13-14-1-4-18(22)5-2-14)16(11-17)12-23-9-7-15(8-10-23)20(24)25/h1-6,11,15H,7-10,12-13H2,(H,24,25) ZBUQBWRLYSPOJF-UHFFFAOYSA-N 50205750 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidine-4-carboxylic acid::CHEMBL234676 C-C chemokine receptor type 5 8500 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11259200 104084034 CHEMBL234676 ZINC28822116 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375879 NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C19H22BrClN2O/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-23-9-7-18(22)8-10-23/h1-6,11,18H,7-10,12-13,22H2 YUTVMUJGADQCQJ-UHFFFAOYSA-N 50205751 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-amine::CHEMBL234673 C-C chemokine receptor type 5 4700 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11154101 104084035 CHEMBL234673 ZINC28822101 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375880 Clc1ccc(COc2ccc(Br)cc2CN2CCCC2)cc1 InChI=1S/C18H19BrClNO/c19-16-5-8-18(15(11-16)12-21-9-1-2-10-21)22-13-14-3-6-17(20)7-4-14/h3-8,11H,1-2,9-10,12-13H2 FIIVPUQAOXHOJD-UHFFFAOYSA-N 50205752 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)pyrrolidine::CHEMBL391378 C-C chemokine receptor type 5 1300 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431926 104084036 CHEMBL391378 ZINC28822074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375881 CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C18H21BrClNO/c1-3-21(4-2)12-15-11-16(19)7-10-18(15)22-13-14-5-8-17(20)9-6-14/h5-11H,3-4,12-13H2,1-2H3 WVXRYEWVSGIEJA-UHFFFAOYSA-N 50197778 CHEMBL234634::N-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-N-ethylethanamine C-C chemokine receptor type 5 1400 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197778&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11350639 104078996 CHEMBL234634 ZINC28821979 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375882 Clc1ccc(COc2ccc(Br)cc2CN2CCC(CC2)N2CCNCC2)cc1 InChI=1S/C23H29BrClN3O/c24-20-3-6-23(29-17-18-1-4-21(25)5-2-18)19(15-20)16-27-11-7-22(8-12-27)28-13-9-26-10-14-28/h1-6,15,22,26H,7-14,16-17H2 UTGUYHARYZFXKR-UHFFFAOYSA-N 50205753 1-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-yl)piperazine::CHEMBL232409 C-C chemokine receptor type 5 350 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205753&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431954 104084037 CHEMBL232409 ZINC28822111 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375883 OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C19H21BrClNO2/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-22-9-7-18(23)8-10-22/h1-6,11,18,23H,7-10,12-13H2 KGIIBFMVNOITPP-UHFFFAOYSA-N 50205754 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-ol::CHEMBL392659 C-C chemokine receptor type 5 49 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11189082 104084038 CHEMBL392659 ZINC28822090 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375884 Clc1ccc(COc2ccc(Br)cc2CN2CCC(=O)CC2)cc1 InChI=1S/C19H19BrClNO2/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-22-9-7-18(23)8-10-22/h1-6,11H,7-10,12-13H2 IRHTWLKWBXJAQQ-UHFFFAOYSA-N 50205755 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-one::CHEMBL234206 C-C chemokine receptor type 5 150 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11246827 104084039 CHEMBL234206 ZINC28822086 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375885 OC1(CNC(=O)Nc2ccc(F)cc2)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C27H28BrClFN3O3/c28-21-3-10-25(36-17-19-1-4-22(29)5-2-19)20(15-21)16-33-13-11-27(35,12-14-33)18-31-26(34)32-24-8-6-23(30)7-9-24/h1-10,15,35H,11-14,16-18H2,(H2,31,32,34) JXUFFSVTTKFZEJ-UHFFFAOYSA-N 50205756 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(4-fluorophenyl)urea::CHEMBL238118 C-C chemokine receptor type 5 1500 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431969 104084040 CHEMBL238118 ZINC28822130 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375886 CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C33H41BrClN3O3/c1-22(2)28-6-5-7-29(23(3)4)31(28)37-32(39)36-21-33(40)14-16-38(17-15-33)19-25-18-26(34)10-13-30(25)41-20-24-8-11-27(35)12-9-24/h5-13,18,22-23,40H,14-17,19-21H2,1-4H3,(H2,36,37,39) TVVGEQBGMZKVKU-UHFFFAOYSA-N 50205757 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-diisopropylphenyl)urea::CHEMBL392536 C-C chemokine receptor type 5 35 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431984 104084041 CHEMBL392536 ZINC28822148 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375887 NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C20H24BrClN2O2/c21-17-3-6-19(26-13-15-1-4-18(22)5-2-15)16(11-17)12-24-9-7-20(25,14-23)8-10-24/h1-6,11,25H,7-10,12-14,23H2 SWFXUXPWVKGLTC-UHFFFAOYSA-N 50205758 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(aminomethyl)piperidin-4-ol::CHEMBL234896 C-C chemokine receptor type 5 580 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205758&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431962 104084042 CHEMBL234896 ZINC28822123 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375888 OC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 InChI=1S/C25H32BrClN2O3/c26-21-3-6-24(32-17-19-1-4-22(27)5-2-19)20(15-21)16-28-13-9-25(31,10-14-28)18-29-11-7-23(30)8-12-29/h1-6,15,23,30-31H,7-14,16-18H2 HATILNDJUSATOS-UHFFFAOYSA-N 50205759 1-[5-bromo-2-(4-chloro-benzyloxy)-benzyl]-4-(4-hydroxy-piperidin-1-ylmethyl)-piperidin-4-ol::CHEMBL237896 C-C chemokine receptor type 5 1100 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205759&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431965 104084043 CHEMBL237896 ZINC28822126 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375889 CCc1cccc(CC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C31H37BrClN3O3/c1-3-23-6-5-7-24(4-2)29(23)35-30(37)34-21-31(38)14-16-36(17-15-31)19-25-18-26(32)10-13-28(25)39-20-22-8-11-27(33)12-9-22/h5-13,18,38H,3-4,14-17,19-21H2,1-2H3,(H2,34,35,37) INAMAZLKOGOTJO-UHFFFAOYSA-N 50205760 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-diethylphenyl)urea::CHEMBL233847 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205760&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16730521 104084044 CHEMBL233847 ZINC28822142 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375890 OC1(CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)C(F)(F)F InChI=1S/C20H20BrClF3NO2/c21-16-3-6-18(28-13-14-1-4-17(22)5-2-14)15(11-16)12-26-9-7-19(27,8-10-26)20(23,24)25/h1-6,11,27H,7-10,12-13H2 WFSMTSDNZOMDND-UHFFFAOYSA-N 50205761 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(trifluoromethyl)piperidin-4-ol::CHEMBL393004 C-C chemokine receptor type 5 580 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205761&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431959 104084045 CHEMBL393004 ZINC28822119 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375891 FC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C19H20BrClFNO/c20-16-3-6-19(24-13-14-1-4-17(21)5-2-14)15(11-16)12-23-9-7-18(22)8-10-23/h1-6,11,18H,7-10,12-13H2 ZXDPSDQILHPHKU-UHFFFAOYSA-N 50205762 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-fluoropiperidine::CHEMBL234672 C-C chemokine receptor type 5 280 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431944 104084046 CHEMBL234672 ZINC28822100 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375892 OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 InChI=1S/C18H19BrClNO2/c19-15-3-6-18(23-12-13-1-4-16(20)5-2-13)14(9-15)10-21-8-7-17(22)11-21/h1-6,9,17,22H,7-8,10-12H2 LIROUCJHJSDZPV-UHFFFAOYSA-N 50205763 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)pyrrolidin-3-ol::CHEMBL233638 C-C chemokine receptor type 5 350 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205763&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11326950 104084047 CHEMBL233638 ZINC28822089 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375893 COc1cccc(OC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C29H33BrClN3O5/c1-37-25-4-3-5-26(38-2)27(25)33-28(35)32-19-29(36)12-14-34(15-13-29)17-21-16-22(30)8-11-24(21)39-18-20-6-9-23(31)10-7-20/h3-11,16,36H,12-15,17-19H2,1-2H3,(H2,32,33,35) SHOPLBXNUOLWBL-UHFFFAOYSA-N 50205764 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-dimethoxyphenyl)urea::CHEMBL429442 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431986 104084048 CHEMBL429442 ZINC28822150 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375894 NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C14H13BrClNO/c15-12-3-6-14(11(7-12)8-17)18-9-10-1-4-13(16)5-2-10/h1-7H,8-9,17H2 YKPADUDRSOXMQB-UHFFFAOYSA-N 50205765 (2-(4-chlorobenzyloxy)-5-bromophenyl)methanamine::CHEMBL233845 C-C chemokine receptor type 5 1700 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205765&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11267381 104084049 CHEMBL233845 ZINC28821969 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375895 OC1(CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 InChI=1S/C25H24Br2ClNO2/c26-21-5-3-20(4-6-21)25(30)11-13-29(14-12-25)16-19-15-22(27)7-10-24(19)31-17-18-1-8-23(28)9-2-18/h1-10,15,30H,11-14,16-17H2 SLOFYNKFMWLYJA-UHFFFAOYSA-N 50205766 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(4-bromophenyl)piperidin-4-ol::CHEMBL234894 C-C chemokine receptor type 5 4800 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205766&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11249997 104084050 CHEMBL234894 ZINC28822121 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375896 CN1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 InChI=1S/C25H33BrClN3O2/c1-28-12-14-30(15-13-28)19-25(31)8-10-29(11-9-25)17-21-16-22(26)4-7-24(21)32-18-20-2-5-23(27)6-3-20/h2-7,16,31H,8-15,17-19H2,1H3 IXZZXWDPIMSXSX-UHFFFAOYSA-N 50205767 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-((4-methylpiperazin-1-yl)methyl)piperidin-4-ol::CHEMBL391886 C-C chemokine receptor type 5 210 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205767&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431967 104084051 CHEMBL391886 ZINC28822128 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375897 CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C21H25BrClNO2/c1-2-25-20-9-11-24(12-10-20)14-17-13-18(22)5-8-21(17)26-15-16-3-6-19(23)7-4-16/h3-8,13,20H,2,9-12,14-15H2,1H3 XNBJPXOJYKURSF-UHFFFAOYSA-N 50205768 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-ethoxypiperidine::CHEMBL394115 C-C chemokine receptor type 5 450 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205768&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11166533 104084052 CHEMBL394115 ZINC28822098 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375898 OC1(CNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C27H26BrCl4N3O3/c28-19-3-6-24(38-15-17-1-4-20(29)5-2-17)18(11-19)14-35-9-7-27(37,8-10-35)16-33-26(36)34-25-22(31)12-21(30)13-23(25)32/h1-6,11-13,37H,7-10,14-16H2,(H2,33,34,36) VKWCQDVRWAFFKO-UHFFFAOYSA-N 50205769 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,4,6-trichlorophenyl)urea::CHEMBL234017 C-C chemokine receptor type 5 450 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205769&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431975 104084053 CHEMBL234017 ZINC28822136 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375899 CCOC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C22H25BrClNO3/c1-2-27-22(26)17-9-11-25(12-10-17)14-18-13-19(23)5-8-21(18)28-15-16-3-6-20(24)7-4-16/h3-8,13,17H,2,9-12,14-15H2,1H3 DTYWUFKXIXTQLH-UHFFFAOYSA-N 50205770 CHEMBL232412::ethyl 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidine-4-carboxylate C-C chemokine receptor type 5 1300 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205770&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11408704 104084054 CHEMBL232412 ZINC28822114 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375900 CCNC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C21H26BrClN2O/c1-2-24-20-9-11-25(12-10-20)14-17-13-18(22)5-8-21(17)26-15-16-3-6-19(23)7-4-16/h3-8,13,20,24H,2,9-12,14-15H2,1H3 YLJRIZHVEIYVDX-UHFFFAOYSA-N 50205771 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-N-ethylpiperidin-4-amine::CHEMBL234674 C-C chemokine receptor type 5 3100 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205771&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431946 104084055 CHEMBL234674 ZINC28822103 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375901 OC1(CNC(=O)Nc2c(F)cccc2F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C27H27BrClF2N3O3/c28-20-6-9-24(37-16-18-4-7-21(29)8-5-18)19(14-20)15-34-12-10-27(36,11-13-34)17-32-26(35)33-25-22(30)2-1-3-23(25)31/h1-9,14,36H,10-13,15-17H2,(H2,32,33,35) SOCODJVQCMYULP-UHFFFAOYSA-N 50205772 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-difluorophenyl)urea::CHEMBL236421 C-C chemokine receptor type 5 320 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205772&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431971 104084056 CHEMBL236421 ZINC28822132 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375902 CC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C21H24BrClN2O2/c1-15(26)24-20-8-10-25(11-9-20)13-17-12-18(22)4-7-21(17)27-14-16-2-5-19(23)6-3-16/h2-7,12,20H,8-11,13-14H2,1H3,(H,24,26) LQKZXIBWLKCNBR-UHFFFAOYSA-N 50205774 CHEMBL394256::N-(1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-4-yl)acetamide C-C chemokine receptor type 5 390 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205774&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431949 104084058 CHEMBL394256 ZINC28822106 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375903 OC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 InChI=1S/C19H21BrClNO2/c20-16-5-8-19(24-13-14-3-6-17(21)7-4-14)15(10-16)11-22-9-1-2-18(23)12-22/h3-8,10,18,23H,1-2,9,11-13H2 FWIUHLWLODRVDP-UHFFFAOYSA-N 50205775 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)piperidin-3-ol::CHEMBL392868 C-C chemokine receptor type 5 150 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205775&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11177360 104084059 CHEMBL392868 ZINC28822095 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375904 CCN1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C20H24BrClN2O/c1-2-23-9-11-24(12-10-23)14-17-13-18(21)5-8-20(17)25-15-16-3-6-19(22)7-4-16/h3-8,13H,2,9-12,14-15H2,1H3 RLROVNONCYRVPD-UHFFFAOYSA-N 50205778 1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-ethylpiperazine::CHEMBL234204 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205778&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431934 104084062 CHEMBL234204 ZINC28822083 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375905 CN(Cc1ccccc1)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C22H21BrClNO/c1-25(14-17-5-3-2-4-6-17)15-19-13-20(23)9-12-22(19)26-16-18-7-10-21(24)11-8-18/h2-13H,14-16H2,1H3 ZUOWRTNMBWVLDP-UHFFFAOYSA-N 50205779 CHEMBL233635::N-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-N-methyl(phenyl)methanamine C-C chemokine receptor type 5 10100 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205779&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11224188 104084063 CHEMBL233635 ZINC28822071 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375906 CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 InChI=1S/C16H17BrClNO/c1-2-19-10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9,19H,2,10-11H2,1H3 ORVDFXFQIBURPI-UHFFFAOYSA-N 50205773 CHEMBL233385::N-(2-(4-chlorobenzyloxy)-5-bromobenzyl)ethanamine C-C chemokine receptor type 5 1100 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205773&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 4716524 104084057 CHEMBL233385 ZINC08227211 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375907 Cc1cc(C)c(NC(=O)NCC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1 InChI=1S/C30H35BrClN3O3/c1-20-14-21(2)28(22(3)15-20)34-29(36)33-19-30(37)10-12-35(13-11-30)17-24-16-25(31)6-9-27(24)38-18-23-4-7-26(32)8-5-23/h4-9,14-16,37H,10-13,17-19H2,1-3H3,(H2,33,34,36) UKVXOWSYJCCNAA-UHFFFAOYSA-N 50205776 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-mesitylurea::CHEMBL234208 C-C chemokine receptor type 5 100 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205776&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431977 104084060 CHEMBL234208 ZINC28822139 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375908 Cc1cccc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C29H33BrClN3O3/c1-20-4-3-5-21(2)27(20)33-28(35)32-19-29(36)12-14-34(15-13-29)17-23-16-24(30)8-11-26(23)37-18-22-6-9-25(31)10-7-22/h3-11,16,36H,12-15,17-19H2,1-2H3,(H2,32,33,35) KCGQWTAZKYLWJH-UHFFFAOYSA-N 50205777 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-dimethylphenyl)urea::CHEMBL233846 C-C chemokine receptor type 5 47 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205777&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431979 104084061 CHEMBL233846 ZINC28822141 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375909 OC1(CNC(=O)Nc2c(Cl)cccc2Cl)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C27H27BrCl3N3O3/c28-20-6-9-24(37-16-18-4-7-21(29)8-5-18)19(14-20)15-34-12-10-27(36,11-13-34)17-32-26(35)33-25-22(30)2-1-3-23(25)31/h1-9,14,36H,10-13,15-17H2,(H2,32,33,35) SCKBACCQEVZMLT-UHFFFAOYSA-N 50205781 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-dichlorophenyl)urea::CHEMBL236622 C-C chemokine receptor type 5 57 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205781&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431972 104084065 CHEMBL236622 ZINC28822133 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50375910 Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 InChI=1S/C29H32Br2ClN3O3/c1-19-13-24(31)14-20(2)27(19)34-28(36)33-18-29(37)9-11-35(12-10-29)16-22-15-23(30)5-8-26(22)38-17-21-3-6-25(32)7-4-21/h3-8,13-15,37H,9-12,16-18H2,1-2H3,(H2,33,34,36) ULIOLEOZQSNLLB-UHFFFAOYSA-N 50205780 1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(4-bromo-2,6-dimethylphenyl)urea::CHEMBL393002 C-C chemokine receptor type 5 170 ChEMBL 10.1016/j.bmcl.2007.01.050 10.7270/Q29Z94KR 17314043 Lu, SF; Chen, B; Davey, D; Dunning, L; Jaroch, S; May, K; Onuffer, J; Phillips, G; Subramanyam, B; Tseng, JL; Wei, RG; Wei, M; Ye, B Berlex Biosciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205780&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44431976 104084064 CHEMBL393002 ZINC28822138 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364381 CCN(CC)CCCC(NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1)C(C)C InChI=1S/C33H40Cl2N4O2/c1-5-38(6-2)16-9-12-30(23(3)4)36-32(40)15-17-41-33-22-31(26-18-27(34)21-28(35)19-26)37-39(33)29-14-13-24-10-7-8-11-25(24)20-29/h7-8,10-11,13-14,18-23,30H,5-6,9,12,15-17H2,1-4H3,(H,36,40) XFXXRSCPBSTFIY-UHFFFAOYSA-N 50197982 3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-pyrazol-5-yloxy)-N-(6-(diethylamino)-2-methylhexan-3-yl)propanamide::CHEMBL239144 C-C chemokine receptor type 5 1610 ChEMBL 10.1016/j.bmcl.2006.10.060 10.7270/Q2P84BJD 17088058 Pinkerton, AB; Huang, D; Cube, RV; Hutchinson, JH; Struthers, M; Ayala, JM; Vicario, PP; Patel, SR; Wisniewski, T; DeMartino, JA; Vernier, JM Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197982&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11534473 104079081 CHEMBL239144 ZINC28887363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364399 COC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 InChI=1S/C30H32Cl2N6O3/c1-41-29(40)26(9-5-13-35-30(33)34)36-28(39)10-4-8-24-18-27(21-14-22(31)17-23(32)15-21)37-38(24)25-12-11-19-6-2-3-7-20(19)16-25/h2-3,6-7,11-12,14-18,26H,4-5,8-10,13H2,1H3,(H,36,39)(H4,33,34,35)/t26-/m0/s1 YLNOGPJREAMGJN-SANMLTNESA-N 50197995 (S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-yl-2H-pyrazol-3-yl]-butyrylamino}-5-guanidino-pentanoic acid methyl ester::CHEMBL241497 C-C chemokine receptor type 5 63 ChEMBL 10.1016/j.bmcl.2006.10.060 10.7270/Q2P84BJD 17088058 Pinkerton, AB; Huang, D; Cube, RV; Hutchinson, JH; Struthers, M; Ayala, JM; Vicario, PP; Patel, SR; Wisniewski, T; DeMartino, JA; Vernier, JM Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197995&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44439155 104079094 CHEMBL241497 ZINC28887152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50364400 CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 InChI=1S/C32H38Cl2N4O/c1-4-37(5-2)17-9-10-23(3)35-32(39)14-8-13-29-22-31(26-18-27(33)21-28(34)19-26)36-38(29)30-16-15-24-11-6-7-12-25(24)20-30/h6-7,11-12,15-16,18-23H,4-5,8-10,13-14,17H2,1-3H3,(H,35,39) LFEZDWBBQLHEMC-UHFFFAOYSA-N 50197980 4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-pyrazol-5-yl)-N-(5-(diethylamino)pentan-2-yl)butanamide::CHEMBL241502 C-C chemokine receptor type 5 220 ChEMBL 10.1016/j.bmcl.2006.10.060 10.7270/Q2P84BJD 17088058 Pinkerton, AB; Huang, D; Cube, RV; Hutchinson, JH; Struthers, M; Ayala, JM; Vicario, PP; Patel, SR; Wisniewski, T; DeMartino, JA; Vernier, JM Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50197980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50197980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11570431 104079079 CHEMBL241502 ZINC28887221 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391510 C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1 BXCVNDLGUWFNBK-UHFFFAOYSA-O 50216435 CHEMBL397647::N-(4-(3,4-dichlorobenzamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium C-C chemokine receptor type 5 1000 ChEMBL 10.1016/j.bmcl.2007.01.115 10.7270/Q2F47NVR 17587570 Lagu, B; Gerchak, C; Pan, M; Hou, C; Singer, M; Malaviya, R; Matheis, M; Olini, G; Cavender, D; Wachter, M Johnson & Johnson Pharmaceutical Research and Development LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50216435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50216435&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11502371 104090793 CHEMBL397647 ZINC34804438 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50395882 C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1 InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24) DZLOTZYSSWSJCR-UHFFFAOYSA-N 50112266 CHEMBL3608763 C-C chemokine receptor type 5 36000 ChEMBL 10.1021/acsmedchemlett.5b00036 10.7270/Q2K64KVQ 26191361 Cox, BD; Prosser, AR; Sun, Y; Li, Z; Lee, S; Huang, MB; Bond, VC; Snyder, JP; Krystal, M; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112266&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56750906 319493544 CHEMBL3608763 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50395883 COc1ncc(CN2CCC(CC2)c2[nH]ncc2Cc2ccccc2)cn1 InChI=1S/C21H25N5O/c1-27-21-22-12-17(13-23-21)15-26-9-7-18(8-10-26)20-19(14-24-25-20)11-16-5-3-2-4-6-16/h2-6,12-14,18H,7-11,15H2,1H3,(H,24,25) ZFCVBEGVMSSCFW-UHFFFAOYSA-N 50112267 CHEMBL3608771 C-C chemokine receptor type 5 70000 ChEMBL 10.1021/acsmedchemlett.5b00036 10.7270/Q2K64KVQ 26191361 Cox, BD; Prosser, AR; Sun, Y; Li, Z; Lee, S; Huang, MB; Bond, VC; Snyder, JP; Krystal, M; Wilson, LJ; Liotta, DC Emory University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50112267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50112267&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56754672 319493545 CHEMBL3608771 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391716 CCc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(CC)cc2)c1C InChI=1S/C30H35N3O2/c1-5-22-9-13-24(14-10-22)29(34)31-18-26-20(3)27(28-8-7-17-33(28)21(26)4)19-32-30(35)25-15-11-23(6-2)12-16-25/h9-16H,5-8,17-19H2,1-4H3,(H-,31,32,34,35)/p+1 OAKHSNURJNYSLE-UHFFFAOYSA-O 50109834 CHEMBL3604310 C-C chemokine receptor type 5 23900 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109834&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185637 319493104 CHEMBL3604310 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391717 Cc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(C)cc2)c1C InChI=1S/C28H31N3O2/c1-18-7-11-22(12-8-18)27(32)29-16-24-20(3)25(26-6-5-15-31(26)21(24)4)17-30-28(33)23-13-9-19(2)10-14-23/h7-14H,5-6,15-17H2,1-4H3,(H-,29,30,32,33)/p+1 KSWSNPDEPHLKAN-UHFFFAOYSA-O 50109835 CHEMBL3604311 C-C chemokine receptor type 5 18700 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109835&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185639 319493105 CHEMBL3604311 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391718 Cc1c(CNC(=O)c2ccccc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccccc1 InChI=1S/C26H27N3O2/c1-18-22(16-27-25(30)20-10-5-3-6-11-20)19(2)29-15-9-14-24(29)23(18)17-28-26(31)21-12-7-4-8-13-21/h3-8,10-13H,9,14-17H2,1-2H3,(H-,27,28,30,31)/p+1 HDCHTJHUDTWQJY-UHFFFAOYSA-O 50109836 CHEMBL3604312 C-C chemokine receptor type 5 1350 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109836&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185641 319493106 CHEMBL3604312 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391719 Cc1c(CNC(=O)c2ccc3ccccc3c2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc2ccccc2c1 InChI=1S/C34H31N3O2/c1-22-30(20-35-33(38)28-15-13-24-8-3-5-10-26(24)18-28)23(2)37-17-7-12-32(37)31(22)21-36-34(39)29-16-14-25-9-4-6-11-27(25)19-29/h3-6,8-11,13-16,18-19H,7,12,17,20-21H2,1-2H3,(H-,35,36,38,39)/p+1 OGSBVITYCWWQRK-UHFFFAOYSA-O 50109837 CHEMBL3604296 C-C chemokine receptor type 5 12700 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109837&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185609 319493107 CHEMBL3604296 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391720 [Cl-].Cc1c(CNC(=O)c2ccc(cc2)-c2ccccc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)-c1ccccc1 InChI=1S/C38H35N3O2.ClH/c1-26-34(24-39-37(42)32-19-15-30(16-20-32)28-10-5-3-6-11-28)27(2)41-23-9-14-36(41)35(26)25-40-38(43)33-21-17-31(18-22-33)29-12-7-4-8-13-29;/h3-8,10-13,15-22H,9,14,23-25H2,1-2H3,(H-,39,40,42,43);1H JMGUKQCPSYFIJN-UHFFFAOYSA-N 50109842 CHEMBL3604297 C-C chemokine receptor type 5 17300 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109842&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185610 104004731 CHEMBL3604297 ZINC11524245 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391721 [Cl-].Cc1c(CNC(=O)c2ccc(cc2)C2CCCCC2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C1CCCCC1 InChI=1S/C38H47N3O2.ClH/c1-26-34(24-39-37(42)32-19-15-30(16-20-32)28-10-5-3-6-11-28)27(2)41-23-9-14-36(41)35(26)25-40-38(43)33-21-17-31(18-22-33)29-12-7-4-8-13-29;/h15-22,28-29H,3-14,23-25H2,1-2H3,(H-,39,40,42,43);1H QVWXJSGKTZHBQC-UHFFFAOYSA-N 50109880 CHEMBL3604298 C-C chemokine receptor type 5 12900 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109880&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185612 104004769 CHEMBL3604298 ZINC13438490 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391722 [Cl-].Cc1c(CNC(=O)c2ccc(cc2)C(C)(C)C)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C(C)(C)C InChI=1S/C34H43N3O2.ClH/c1-22-28(20-35-31(38)24-11-15-26(16-12-24)33(3,4)5)23(2)37-19-9-10-30(37)29(22)21-36-32(39)25-13-17-27(18-14-25)34(6,7)8;/h11-18H,9-10,19-21H2,1-8H3,(H-,35,36,38,39);1H SDERWQYXWDSXGD-UHFFFAOYSA-N 50109881 CHEMBL3604299 C-C chemokine receptor type 5 30100 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109881&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185614 104004770 CHEMBL3604299 ZINC13438483 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391723 [Cl-].CC(C)c1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(cc2)C(C)C)c1C InChI=1S/C32H39N3O2.ClH/c1-20(2)24-9-13-26(14-10-24)31(36)33-18-28-22(5)29(30-8-7-17-35(30)23(28)6)19-34-32(37)27-15-11-25(12-16-27)21(3)4;/h9-16,20-21H,7-8,17-19H2,1-6H3,(H-,33,34,36,37);1H FEKRPEQQKJDIJG-UHFFFAOYSA-N 50109883 CHEMBL3604300 C-C chemokine receptor type 5 26800 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109883&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185616 104004772 CHEMBL3604300 ZINC13438503 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391724 [Cl-].Cc1c(CNC(=O)c2ccc(Br)cc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(Br)cc1 InChI=1S/C26H25Br2N3O2.ClH/c1-16-22(14-29-25(32)18-5-9-20(27)10-6-18)17(2)31-13-3-4-24(31)23(16)15-30-26(33)19-7-11-21(28)12-8-19;/h5-12H,3-4,13-15H2,1-2H3,(H-,29,30,32,33);1H PRFORHYCHNFDOQ-UHFFFAOYSA-N 50109884 CHEMBL3604301 C-C chemokine receptor type 5 38500 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109884&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185618 104004773 CHEMBL3604301 ZINC13438510 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391725 [Cl-].Cc1c(CNC(=O)c2ccc(Cl)cc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(Cl)cc1 InChI=1S/C26H25Cl2N3O2.ClH/c1-16-22(14-29-25(32)18-5-9-20(27)10-6-18)17(2)31-13-3-4-24(31)23(16)15-30-26(33)19-7-11-21(28)12-8-19;/h5-12H,3-4,13-15H2,1-2H3,(H-,29,30,32,33);1H AQMCDAYVDQDHDT-UHFFFAOYSA-N 50109885 CHEMBL3604302 C-C chemokine receptor type 5 46200 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109885&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185620 104004774 CHEMBL3604302 ZINC13438521 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391726 [Cl-].Cc1c(CNC(=O)c2ccc(cc2)C(F)(F)F)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C(F)(F)F InChI=1S/C28H25F6N3O2.ClH/c1-16-22(14-35-25(38)18-5-9-20(10-6-18)27(29,30)31)17(2)37-13-3-4-24(37)23(16)15-36-26(39)19-7-11-21(12-8-19)28(32,33)34;/h5-12H,3-4,13-15H2,1-2H3,(H-,35,36,38,39);1H RVQQVGMOGQSZBU-UHFFFAOYSA-N 50109887 CHEMBL3604303 C-C chemokine receptor type 5 121500 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109887&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185622 104004776 CHEMBL3604303 ZINC01909566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391727 [Cl-].Cc1c(CNC(=O)c2ccc(cc2)[N+]([O-])=O)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)[N+]([O-])=O InChI=1S/C26H25N5O6.ClH/c1-16-22(14-27-25(32)18-5-9-20(10-6-18)30(34)35)17(2)29-13-3-4-24(29)23(16)15-28-26(33)19-7-11-21(12-8-19)31(36)37;/h5-12H,3-4,13-15H2,1-2H3,(H-,27,28,32,33);1H GNCHIFLNTHMBKS-UHFFFAOYSA-N 50109888 CHEMBL3604304 C-C chemokine receptor type 5 67700 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109888&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185624 104004777 CHEMBL3604304 ZINC13438518 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391728 [Cl-].Cc1c(CNC(=O)c2ccc(F)cc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(F)cc1 InChI=1S/C26H25F2N3O2.ClH/c1-16-22(14-29-25(32)18-5-9-20(27)10-6-18)17(2)31-13-3-4-24(31)23(16)15-30-26(33)19-7-11-21(28)12-8-19;/h5-12H,3-4,13-15H2,1-2H3,(H-,29,30,32,33);1H QQOISAUQIQSKQO-UHFFFAOYSA-N 50109889 CHEMBL3604305 C-C chemokine receptor type 5 80900 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109889&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185626 104004778 CHEMBL3604305 ZINC13438513 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391729 [Cl-].Cc1c(CNC(=O)c2ccc(cc2)C#N)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C#N InChI=1S/C28H25N5O2.ClH/c1-18-24(16-31-27(34)22-9-5-20(14-29)6-10-22)19(2)33-13-3-4-26(33)25(18)17-32-28(35)23-11-7-21(15-30)8-12-23;/h5-12H,3-4,13,16-17H2,1-2H3,(H-,31,32,34,35);1H BAABATGYVBICBT-UHFFFAOYSA-N 50109890 CHEMBL3604306 C-C chemokine receptor type 5 101200 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109890&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185628 104004779 CHEMBL3604306 ZINC13438497 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391730 [Cl-].Cc1c(CNC(=O)c2ccc(N)cc2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(N)cc1 InChI=1S/C26H29N5O2.ClH/c1-16-22(14-29-25(32)18-5-9-20(27)10-6-18)17(2)31-13-3-4-24(31)23(16)15-30-26(33)19-7-11-21(28)12-8-19;/h5-12H,3-4,13-15H2,1-2H3,(H5-,27,28,29,30,32,33);1H FQILWLOEZHGTGG-UHFFFAOYSA-N 50109891 CHEMBL3604307 C-C chemokine receptor type 5 173900 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109891&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185630 104004780 CHEMBL3604307 ZINC13438500 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391731 [Cl-].CSc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(SC)cc2)c1C InChI=1S/C28H31N3O2S2.ClH/c1-18-24(16-29-27(32)20-7-11-22(34-3)12-8-20)19(2)31-15-5-6-26(31)25(18)17-30-28(33)21-9-13-23(35-4)14-10-21;/h7-14H,5-6,15-17H2,1-4H3,(H-,29,30,32,33);1H KDQWIIKQMXSILQ-UHFFFAOYSA-N 50109892 CHEMBL3604308 C-C chemokine receptor type 5 19300 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109892&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185632 104004781 CHEMBL3604308 ZINC13438493 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50391732 COc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(OC)cc2)c1C InChI=1S/C28H31N3O4/c1-18-24(16-29-27(32)20-7-11-22(34-3)12-8-20)19(2)31-15-5-6-26(31)25(18)17-30-28(33)21-9-13-23(35-4)14-10-21/h7-14H,5-6,15-17H2,1-4H3,(H-,29,30,32,33)/p+1 ODANDJWFRVPIIX-UHFFFAOYSA-O 50109932 CHEMBL3604309 C-C chemokine receptor type 5 69000 ChEMBL 10.1016/j.bmcl.2015.06.029 10.7270/Q2GH9KRF 26096680 Xu, GG; Zaidi, SA; Zhang, F; Singh, S; Raborg, TJ; Yuan, Y; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109932&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122185635 319493108 CHEMBL3604309 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50384306 C[C@H]1CN(CC[C@@]11C=Cc2ccccc12)[C@@H]1CC[C@@](C)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F InChI=1S/C30H32F6N2O/c1-19-18-38(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27-,28-/m0/s1 UAKDPJAUOVRMIX-FRKLKZNZSA-N 50211499 (1S,3R)-N-[3,5-bis(trifluoromethyl)benzyl]-1-methyl-3-[(1R,3'R)-methyl-1'H-spiro[indene-1,4'-piperidin]-1'-yl]cyclopentanecarboxamide::CHEMBL226066 C-C chemokine receptor type 5 630 ChEMBL 10.1021/jm070166b 10.7270/Q2WW7HCF 17461566 Yang, L; Butora, G; Jiao, RX; Pasternak, A; Zhou, C; Parsons, WH; Mills, SG; Vicario, PP; Ayala, JM; Cascieri, MA; MacCoss, M Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211499&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11606411 104087668 CHEMBL226066 ZINC28645324 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417177 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3ccccc3n2)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H37FN4O2/c31-25-8-4-7-23(16-25)26-19-35(28(30(36)37)15-21-5-3-6-21)18-24(26)17-33-13-10-22(11-14-33)27-20-34-12-2-1-9-29(34)32-27/h1-2,4,7-9,12,16,20-22,24,26,28H,3,5-6,10-11,13-15,17-19H2,(H,36,37)/t24-,26+,28+/m0/s1 ULFPSOIGAFYNHK-DKRHUIDYSA-N 50249399 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-a]pyridin-2-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL475777 C-C chemokine receptor type 5 65 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249399&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664160 104103716 CHEMBL475777 ZINC33817891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417178 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C35H45FN4O2/c1-2-40-33(21-31(37-40)18-25-8-4-3-5-9-25)27-14-16-38(17-15-27)22-29-23-39(34(35(41)42)19-26-10-6-11-26)24-32(29)28-12-7-13-30(36)20-28/h3-5,7-9,12-13,20-21,26-27,29,32,34H,2,6,10-11,14-19,22-24H2,1H3,(H,41,42)/t29-,32+,34+/m0/s1 ZLYNHSASOQYQSU-ABAVYFCKSA-N 50141884 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclobutylpropanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-cyclobutyl-propionic acid::CHEMBL173095 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141884&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516361 104031337 CHEMBL173095 ZINC28011845 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417179 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCC2)C(O)=O)CC1 InChI=1S/C34H44N4O2/c1-2-38-32(21-30(35-38)20-25-10-5-3-6-11-25)27-16-18-36(19-17-27)22-29-23-37(33(34(39)40)28-14-9-15-28)24-31(29)26-12-7-4-8-13-26/h3-8,10-13,21,27-29,31,33H,2,9,14-20,22-24H2,1H3,(H,39,40)/t29-,31+,33+/m0/s1 MVLFEXABAZSRER-KCTCJIHVSA-N 50141873 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclobutylacetic acid::CHEMBL352514::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclobutyl-acetic acid C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141873&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516365 104031326 CHEMBL352514 ZINC28005899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417180 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 InChI=1S/C34H45FN4O2/c1-5-39-31(20-29(36-39)18-24-10-7-6-8-11-24)25-14-16-37(17-15-25)21-27-22-38(32(33(40)41)34(2,3)4)23-30(27)26-12-9-13-28(35)19-26/h6-13,19-20,25,27,30,32H,5,14-18,21-23H2,1-4H3,(H,40,41)/t27-,30+,32-/m0/s1 IIVZUBFHVGRROU-KUYURNMDSA-N 50141874 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3,3-dimethylbutanoic acid::(R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL172854 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516260 104031327 CHEMBL172854 ZINC28018010 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417181 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2nc(c[nH]2)-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H42N4O2/c38-33(39)31(26-14-8-3-9-15-26)37-22-28(29(23-37)24-10-4-1-5-11-24)21-36-18-16-27(17-19-36)32-34-20-30(35-32)25-12-6-2-7-13-25/h1-2,4-7,10-13,20,26-29,31H,3,8-9,14-19,21-23H2,(H,34,35)(H,38,39)/t28-,29+,31+/m0/s1 HTMDNDFAQVGELR-ILJQZKEFSA-N 50249428 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL471722 C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249428&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010258 104103739 CHEMBL471722 ZINC44417182 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417182 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc([nH]2)-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H42N4O2/c38-33(39)31(26-12-6-2-7-13-26)37-22-28(29(23-37)24-10-4-1-5-11-24)21-36-18-16-25(17-19-36)30-20-34-32(35-30)27-14-8-3-9-15-27/h1,3-5,8-11,14-15,20,25-26,28-29,31H,2,6-7,12-13,16-19,21-23H2,(H,34,35)(H,38,39)/t28-,29+,31+/m0/s1 QGYNEQRVRFAHAC-ILJQZKEFSA-N 50249429 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(2-phenyl-1H-imidazol-5-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL511154 C-C chemokine receptor type 5 6.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249429&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010259 104103740 CHEMBL511154 ZINC42851550 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417183 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O2S/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,32+/m0/s1 KLPCQOKCNZJSOQ-JIZBBPSKSA-N 50249430 (R)-2-((3S,4S)-3-((4-(5-benzylthiazol-2-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL511494 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249430&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010263 104103741 CHEMBL511494 ZINC42851326 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417184 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(30(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)31-21-35-32(40-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,30+,33+/m0/s1 HMDJSTVCSNOIAW-AARCXHMLSA-N 50249465 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL480503 C-C chemokine receptor type 5 0.29 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249465&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010264 104103764 CHEMBL480503 ZINC49867721 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417185 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 InChI=1S/C32H39N3O3/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/m0/s1 FVHNVQXWBIUQGH-ZGIBFIJWSA-N 50249466 (R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclopropylpropanoic acid::CHEMBL480504 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249466&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010270 104103765 CHEMBL480504 ZINC49867724 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417186 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 InChI=1S/C33H41N3O3/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29+,30+/m0/s1 QVHYASLLUGSFEA-FRXPANAUSA-N 50249467 (R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclobutylpropanoic acid::CHEMBL480693 C-C chemokine receptor type 5 0.34 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249467&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010271 104103766 CHEMBL480693 ZINC49867655 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417187 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 InChI=1S/C32H39N3O2S/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/m0/s1 BYTINRYNDVFJIV-ZGIBFIJWSA-N 50249490 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclopropylpropanoic acid::CHEMBL520091 C-C chemokine receptor type 5 0.23 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249490&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010273 104103780 CHEMBL520091 ZINC42888395 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417188 CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C35H45N3O3/c1-2-31-34(41-33(36-31)21-26-10-5-3-6-11-26)28-16-18-37(19-17-28)22-29-23-38(24-30(29)27-14-7-4-8-15-27)32(35(39)40)20-25-12-9-13-25/h3-8,10-11,14-15,25,28-30,32H,2,9,12-13,16-24H2,1H3,(H,39,40)/t29-,30+,32+/m0/s1 OUTFXOAVNANEPM-XAGDYJCDSA-N 50249491 (R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethyloxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclobutylpropanoic acid::CHEMBL449758 C-C chemokine receptor type 5 0.89 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249491&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565852 104103781 CHEMBL449758 ZINC44350649 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417189 CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C35H45N3O2S/c1-2-31-34(41-33(36-31)21-26-10-5-3-6-11-26)28-16-18-37(19-17-28)22-29-23-38(24-30(29)27-14-7-4-8-15-27)32(35(39)40)20-25-12-9-13-25/h3-8,10-11,14-15,25,28-30,32H,2,9,12-13,16-24H2,1H3,(H,39,40)/t29-,30+,32+/m0/s1 IQJNWNIJNCRMPS-XAGDYJCDSA-N 50249492 (R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclobutylpropanoic acid::CHEMBL471251 C-C chemokine receptor type 5 0.76 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249492&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565853 104103782 CHEMBL471251 ZINC44418477 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417190 CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC(C)C)C(O)=O)CC1 InChI=1S/C34H45N3O2S/c1-4-30-33(40-32(35-30)20-25-11-7-5-8-12-25)27-15-17-36(18-16-27)21-28-22-37(31(34(38)39)19-24(2)3)23-29(28)26-13-9-6-10-14-26/h5-14,24,27-29,31H,4,15-23H2,1-3H3,(H,38,39)/t28-,29+,31+/m0/s1 AKDBQZUOKGFQSF-ILJQZKEFSA-N 50249493 (R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-4-methylpentanoic acid::CHEMBL480890 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249493&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565854 104103783 CHEMBL480890 ZINC49867726 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417191 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2c3ccccc3[nH]c2=O)[C@H](C1)c1ccccc1 InChI=1S/C31H40N4O3/c36-30(37)29(23-11-5-2-6-12-23)34-20-24(26(21-34)22-9-3-1-4-10-22)19-33-17-15-25(16-18-33)35-28-14-8-7-13-27(28)32-31(35)38/h1,3-4,7-10,13-14,23-26,29H,2,5-6,11-12,15-21H2,(H,32,38)(H,36,37)/t24-,26+,29+/m0/s1 DSHOLSFIYBAMKG-IHTKTJBKSA-N 50165097 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::(R)-Cyclohexyl-{(3S,4S)-3-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid::CHEMBL195199 C-C chemokine receptor type 5 63 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165097&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401593 104050692 CHEMBL195199 ZINC28520913 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417192 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ncccc23)[C@H](C1)c1ccccc1 InChI=1S/C30H39N5O2/c36-30(37)28(23-10-5-2-6-11-23)34-19-24(26(20-34)22-8-3-1-4-9-22)18-33-16-13-25(14-17-33)35-21-32-29-27(35)12-7-15-31-29/h1,3-4,7-9,12,15,21,23-26,28H,2,5-6,10-11,13-14,16-20H2,(H,36,37)/t24-,26+,28+/m0/s1 CFTVRLVKUCECGP-DKRHUIDYSA-N 50165089 (R)-2-((3S,4S)-3-((4-(1H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::(R)-Cyclohexyl-[(3S,4S)-3-(4-imidazo[4,5-b]pyridin-1-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-acetic acid::CHEMBL195930 C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165089&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44401985 104050684 CHEMBL195930 ZINC28525507 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417193 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3cccnc23)[C@H](C1)c1ccccc1 InChI=1S/C30H39N5O2/c36-30(37)28(23-10-5-2-6-11-23)34-19-24(26(20-34)22-8-3-1-4-9-22)18-33-16-13-25(14-17-33)35-21-32-27-12-7-15-31-29(27)35/h1,3-4,7-9,12,15,21,23-26,28H,2,5-6,10-11,13-14,16-20H2,(H,36,37)/t24-,26+,28+/m0/s1 MYLXMKJPWQSBJE-DKRHUIDYSA-N 50165082 (R)-2-((3S,4S)-3-((4-(3H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::(R)-Cyclohexyl-[(3S,4S)-3-(4-imidazo[4,5-b]pyridin-3-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-acetic acid::CHEMBL436290 C-C chemokine receptor type 5 2.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165082&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664163 104050677 CHEMBL436290 ZINC28520604 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417194 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2ncc3ccccn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H37FN4O2/c31-25-8-4-7-23(16-25)27-20-34(28(30(36)37)15-21-5-3-6-21)19-24(27)18-33-13-10-22(11-14-33)29-32-17-26-9-1-2-12-35(26)29/h1-2,4,7-9,12,16-17,21-22,24,27-28H,3,5-6,10-11,13-15,18-20H2,(H,36,37)/t24-,27+,28+/m0/s1 JURAKFHVLFDHDI-HNPKZYAISA-N 50249524 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,5-a]pyridin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL470512 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565874 104103801 CHEMBL470512 ZINC33817879 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417195 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ncccn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-7-2-6-22(15-24)25-19-34(26(28(36)37)14-20-4-1-5-20)18-23(25)17-33-12-8-21(9-13-33)27-16-32-29-31-10-3-11-35(27)29/h2-3,6-7,10-11,15-16,20-21,23,25-26H,1,4-5,8-9,12-14,17-19H2,(H,36,37)/t23-,25+,26+/m0/s1 SIQBUQVKMLJSTH-SKBVVQJISA-N 50249077 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-a]pyrimidin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL472798 C-C chemokine receptor type 5 3.5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249077&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565557 104103450 CHEMBL472798 ZINC33817886 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417196 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3ccncc3n2)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-6-2-5-22(14-24)25-18-35(27(29(36)37)13-20-3-1-4-20)17-23(25)16-33-10-7-21(8-11-33)26-19-34-12-9-31-15-28(34)32-26/h2,5-6,9,12,14-15,19-21,23,25,27H,1,3-4,7-8,10-11,13,16-18H2,(H,36,37)/t23-,25+,27+/m0/s1 PTNCFTCNBNAIGZ-VXQMPNGUSA-N 50249078 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-a]pyrazin-2-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL472799 C-C chemokine receptor type 5 29 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249078&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565558 104103451 CHEMBL472799 ZINC33817892 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417197 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3cccnc3n2)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-7-2-6-22(15-24)25-18-35(27(28(36)37)14-20-4-1-5-20)17-23(25)16-33-12-8-21(9-13-33)26-19-34-11-3-10-31-29(34)32-26/h2-3,6-7,10-11,15,19-21,23,25,27H,1,4-5,8-9,12-14,16-18H2,(H,36,37)/t23-,25+,27+/m0/s1 ZCJWLLAPYQIIQU-VXQMPNGUSA-N 50249079 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-a]pyrimidin-2-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL516027 C-C chemokine receptor type 5 200 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249079&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565559 104103452 CHEMBL516027 ZINC33817894 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417198 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1 MXCQYIXLBGSZRW-LWKLBADKSA-N 50141856 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353331::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141856&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516172 104031309 CHEMBL353331 ZINC28015158 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417199 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1 InChI=1S/C34H43FN4O2/c1-2-39-32(20-30(36-39)17-24-7-4-3-5-8-24)26-13-15-37(16-14-26)21-28-22-38(33(34(40)41)18-25-11-12-25)23-31(28)27-9-6-10-29(35)19-27/h3-10,19-20,25-26,28,31,33H,2,11-18,21-23H2,1H3,(H,40,41)/t28-,31+,33+/m0/s1 WYEUTPJDGLHBSW-HTGHOQDLSA-N 50141882 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclopropylpropanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-cyclopropyl-propionic acid::CHEMBL175327 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141882&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516362 104031335 CHEMBL175327 ZINC28090644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417200 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H43FN4O2/c1-4-38-31(19-29(35-38)17-24-9-6-5-7-10-24)25-13-15-36(16-14-25)20-27-21-37(32(23(2)3)33(39)40)22-30(27)26-11-8-12-28(34)18-26/h5-12,18-19,23,25,27,30,32H,4,13-17,20-22H2,1-3H3,(H,39,40)/t27-,30+,32+/m0/s1 QTGSINBFNYAXSI-HYRLGQOJSA-N 50141883 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-methylbutanoic acid::(R)-2-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid::CHEMBL174304 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141883&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516173 104031336 CHEMBL174304 ZINC28012470 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417201 CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-34(31(23-37-40)22-27-12-6-3-7-13-27)30-18-20-38(21-19-30)24-32-25-39(26-33(32)28-14-8-4-9-15-28)35(36(41)42)29-16-10-5-11-17-29/h3-4,6-9,12-15,23,29-30,32-33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t32-,33+,35+/m0/s1 ABASHAPKXWJBNZ-VUHKNJSWSA-N 50141838 (R)-2-((3S,4S)-3-((4-(4-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL368265::{3-[4-(4-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141838&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516332 104031291 CHEMBL368265 ZINC28008519 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417202 CCn1cc(Cc2ccccc2)c(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-25-31(22-27-12-6-3-7-13-27)34(37-40)29-18-20-38(21-19-29)23-32-24-39(26-33(32)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,25,29-30,32-33,35H,2,5,10-11,16-24,26H2,1H3,(H,41,42)/t32-,33+,35+/m0/s1 WXGYWZXOTMEBIY-VUHKNJSWSA-N 50141846 (R)-2-((3S,4S)-3-((4-(4-benzyl-1-ethyl-1H-pyrazol-3-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL170987::{3-[4-(4-Benzyl-1-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141846&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516338 104031299 CHEMBL170987 ZINC53275910 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417203 CCn1cc(CCc2ccccc2)c(n1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H50N4O2/c1-2-41-26-32(19-18-28-12-6-3-7-13-28)35(38-41)30-20-22-39(23-21-30)24-33-25-40(27-34(33)29-14-8-4-9-15-29)36(37(42)43)31-16-10-5-11-17-31/h3-4,6-9,12-15,26,30-31,33-34,36H,2,5,10-11,16-25,27H2,1H3,(H,42,43)/t33-,34+,36+/m0/s1 CAJQJFGPPJJDPS-GABYNLOESA-N 50141843 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(1-ethyl-4-phenethyl-1H-pyrazol-3-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::CHEMBL366626::Cyclohexyl-{3-[4-(1-ethyl-4-phenethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 2.3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141843&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516339 104031296 CHEMBL366626 ZINC28014184 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417204 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)[nH]n2)[C@H](C1)c1ccccc1 InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-29(31(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)32-21-30(35-36-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t29-,31+,33+/m0/s1 QAIJWPOWXKGVJQ-KCTCJIHVSA-N 50141845 (R)-2-((3S,4S)-3-((4-(3-benzyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL172659::{3-[4-(5-Benzyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 2.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141845&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516325 104031298 CHEMBL172659 ZINC28015765 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417205 Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C35H46N4O2/c1-37-33(22-31(36-37)21-26-11-5-2-6-12-26)28-17-19-38(20-18-28)23-30-24-39(25-32(30)27-13-7-3-8-14-27)34(35(40)41)29-15-9-4-10-16-29/h2-3,5-8,11-14,22,28-30,32,34H,4,9-10,15-21,23-25H2,1H3,(H,40,41)/t30-,32+,34+/m0/s1 GSRFNZQXYDIODH-DEIXXNFJSA-N 50141863 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL176392::{3-[4-(5-Benzyl-2-methyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 4.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141863&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516326 104031316 CHEMBL176392 ZINC55646883 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417206 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)no2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O3/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)32-21-30(35-40-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,33+/m0/s1 RFBKFWJESCNTHT-KCTCJIHVSA-N 50249198 (R)-2-((3S,4S)-3-((4-(3-benzylisoxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL511634 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249198&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516342 104103563 CHEMBL511634 ZINC42850918 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417207 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)on2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O3/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)32-21-30(40-35-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,33+/m0/s1 SQNGVTMRTJBMIQ-KCTCJIHVSA-N 50249199 (R)-2-((3S,4S)-3-((4-(5-benzylisoxazol-3-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL471542 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249199&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516343 104103564 CHEMBL471542 ZINC44417922 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417208 CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccccc1 InChI=1S/C35H46N4O2/c1-2-39-33(22-32(36-39)27-14-8-4-9-15-27)28-18-20-37(21-19-28)23-30-24-38(25-31(30)26-12-6-3-7-13-26)34(35(40)41)29-16-10-5-11-17-29/h3-4,6-9,12-15,22,28-31,34H,2,5,10-11,16-21,23-25H2,1H3,(H,40,41)/t30-,31+,34+/m0/s1 KJLMBMNGYISETQ-BEJSXWRTSA-N 50141836 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(1-ethyl-3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::CHEMBL366450::Cyclohexyl-{3-[4-(2-ethyl-5-phenyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141836&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516344 104031289 CHEMBL366450 ZINC28010804 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417209 CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccc(cc1)C#N InChI=1S/C36H45N5O2/c1-2-41-34(21-33(38-41)28-15-13-26(22-37)14-16-28)29-17-19-39(20-18-29)23-31-24-40(25-32(31)27-9-5-3-6-10-27)35(36(42)43)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21,29-32,35H,2,4,7-8,11-12,17-20,23-25H2,1H3,(H,42,43)/t31-,32+,35+/m0/s1 KNIXPLDGCHJLNU-GTXBZULCSA-N 50141849 (3-{4-[5-(4-Cyano-phenyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-acetic acid::(R)-2-((3S,4S)-3-((4-(3-(4-cyanophenyl)-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL172761 C-C chemokine receptor type 5 16 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141849&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516345 104031302 CHEMBL172761 ZINC28010799 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417210 CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)-c1ccc(CN)cc1 InChI=1S/C36H49N5O2/c1-2-41-34(21-33(38-41)28-15-13-26(22-37)14-16-28)29-17-19-39(20-18-29)23-31-24-40(25-32(31)27-9-5-3-6-10-27)35(36(42)43)30-11-7-4-8-12-30/h3,5-6,9-10,13-16,21,29-32,35H,2,4,7-8,11-12,17-20,22-25,37H2,1H3,(H,42,43)/t31-,32+,35+/m0/s1 YJMFAXOJBXHJLD-GTXBZULCSA-N 50141867 (3-{4-[5-(4-Aminomethyl-phenyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-acetic acid::(R)-2-((3S,4S)-3-((4-(3-(4-(aminomethyl)phenyl)-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL368757 C-C chemokine receptor type 5 122 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141867&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516346 104031320 CHEMBL368757 ZINC28011792 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417211 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(n[nH]2)C(F)(F)c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C34H42F2N4O2/c35-34(36,28-14-8-3-9-15-28)31-20-30(37-38-31)25-16-18-39(19-17-25)21-27-22-40(23-29(27)24-10-4-1-5-11-24)32(33(41)42)26-12-6-2-7-13-26/h1,3-5,8-11,14-15,20,25-27,29,32H,2,6-7,12-13,16-19,21-23H2,(H,37,38)(H,41,42)/t27-,29+,32+/m0/s1 MPGXVOKLEKYKQS-RTKAOUNRSA-N 50249200 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(3-(difluoro(phenyl)methyl)-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::CHEMBL499483 C-C chemokine receptor type 5 2.1 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249200&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516354 104103565 CHEMBL499483 ZINC49889575 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417212 CCn1nc(cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)C(C)(C)c1ccccc1 InChI=1S/C38H52N4O2/c1-4-42-34(24-35(39-42)38(2,3)32-18-12-7-13-19-32)29-20-22-40(23-21-29)25-31-26-41(27-33(31)28-14-8-5-9-15-28)36(37(43)44)30-16-10-6-11-17-30/h5,7-9,12-15,18-19,24,29-31,33,36H,4,6,10-11,16-17,20-23,25-27H2,1-3H3,(H,43,44)/t31-,33+,36+/m0/s1 CLJHZAHZVGMFKS-JNYUFQCESA-N 50249201 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(1-ethyl-3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::CHEMBL465416 C-C chemokine receptor type 5 6.9 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249201&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516358 104103566 CHEMBL465416 ZINC44404475 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417213 OC1(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C31H45N3O/c35-31(16-9-15-29-14-7-8-19-32-29)17-20-33(21-18-31)23-28-24-34(22-26-10-3-1-4-11-26)25-30(28)27-12-5-2-6-13-27/h2,5-8,12-14,19,26,28,30,35H,1,3-4,9-11,15-18,20-25H2/t28-,30+/m0/s1 CIZRLPXJAHENGW-MFMCTBQISA-N 50119324 1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-(3-(pyridin-2-yl)propyl)piperidin-4-ol::1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-2-yl-propyl)-piperidin-4-ol::CHEMBL323370 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119324&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496983 104012542 CHEMBL323370 ZINC13819412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417214 OC(=O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 InChI=1S/C34H48N2O3/c37-33(38)22-29-12-7-11-27(21-29)13-8-16-34(39)17-19-35(20-18-34)24-31-25-36(23-28-9-3-1-4-10-28)26-32(31)30-14-5-2-6-15-30/h2,5-7,11-12,14-15,21,28,31-32,39H,1,3-4,8-10,13,16-20,22-26H2,(H,37,38)/t31-,32+/m0/s1 IMUDDPQNMKTPCR-AJQTZOPKSA-N 50119327 (3-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-phenyl)-acetic acid::2-(3-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)phenyl)acetic acid::CHEMBL432596 C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119327&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496973 104012545 CHEMBL432596 ZINC26823124 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417215 OC(=O)Cc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C34H48N2O3/c37-33(38)22-28-15-13-27(14-16-28)10-7-17-34(39)18-20-35(21-19-34)24-31-25-36(23-29-8-3-1-4-9-29)26-32(31)30-11-5-2-6-12-30/h2,5-6,11-16,29,31-32,39H,1,3-4,7-10,17-26H2,(H,37,38)/t31-,32+/m0/s1 IMCPBPJBIKCDDJ-AJQTZOPKSA-N 50119325 (4-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-phenyl)-acetic acid::2-(4-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)phenyl)acetic acid::CHEMBL100336 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119325&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496974 104012543 CHEMBL100336 C03768 ZINC26750731 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417216 Cn1nnc(n1)-c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C34H48N6O/c1-38-36-33(35-37-38)30-16-14-27(15-17-30)11-8-18-34(41)19-21-39(22-20-34)24-31-25-40(23-28-9-4-2-5-10-28)26-32(31)29-12-6-3-7-13-29/h3,6-7,12-17,28,31-32,41H,2,4-5,8-11,18-26H2,1H3/t31-,32+/m0/s1 VRWSWNLSRFRDDD-AJQTZOPKSA-N 50249214 1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-(3-(4-(2-methyl-2H-tetrazol-5-yl)phenyl)propyl)piperidin-4-ol::CHEMBL464132 C-C chemokine receptor type 5 0.4 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249214&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565673 104103574 CHEMBL464132 ZINC26819171 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417217 OC1(CCCc2ccccc2)CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(=C)Cc2ccccc2)CC1 InChI=1S/C41H54N2O/c1-33(29-35-17-8-3-9-18-35)40(37-22-12-5-13-23-37)43-31-38(39(32-43)36-20-10-4-11-21-36)30-42-27-25-41(44,26-28-42)24-14-19-34-15-6-2-7-16-34/h2-4,6-11,15-18,20-21,37-40,44H,1,5,12-14,19,22-32H2/t38-,39+,40-/m0/s1 NZJRJRHYDNPSFZ-UHULTCERSA-N 50249215 1-(((3S,4S)-1-((R)-2-benzyl-1-cyclohexylallyl)-4-phenylpyrrolidin-3-yl)methyl)-4-(3-phenylpropyl)piperidin-4-ol::CHEMBL468150 C-C chemokine receptor type 5 3.6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249215&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565674 104103575 CHEMBL468150 ZINC44406011 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417218 COC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C34H48N2O3/c1-39-33(37)32(29-17-9-4-10-18-29)36-25-30(31(26-36)28-15-7-3-8-16-28)24-35-22-20-34(38,21-23-35)19-11-14-27-12-5-2-6-13-27/h2-3,5-8,12-13,15-16,29-32,38H,4,9-11,14,17-26H2,1H3/t30-,31+,32+/m0/s1 XAKNITJBZPITFX-DCMFLLSESA-N 50119347 (R)-Cyclohexyl-{(3S,4S)-3-[4-hydroxy-4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid methyl ester::(R)-methyl 2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetate::CHEMBL99788 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119347&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501045 104012565 CHEMBL99788 ZINC26750949 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417219 COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C34H48N2O3/c1-39-33(37)32(29-17-9-4-10-18-29)36-25-30(31(26-36)28-15-7-3-8-16-28)24-35-22-20-34(38,21-23-35)19-11-14-27-12-5-2-6-13-27/h2-3,5-8,12-13,15-16,29-32,38H,4,9-11,14,17-26H2,1H3/t30-,31+,32-/m0/s1 XAKNITJBZPITFX-QAXCHELISA-N 50119344 (S)-methyl 2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetate::CHEMBL100958::methyl 2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetate C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119344&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501049 104012562 CHEMBL100958 ZINC26752661 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417220 OC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C33H46N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,14-15,28-31,38H,3,8-10,13,16-25H2,(H,36,37)/t29-,30+,31-/m0/s1 WUHUVZJYMLYIBB-YPKYBTACSA-N 50119346 (S)-2-cyclohexyl-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::2-cyclohexyl-2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL100596 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501050 104012564 CHEMBL100596 ZINC26753003 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417221 CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2ccc(F)cc2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C27H35FN2O2/c1-19(2)26(27(31)32)30-17-23(25(18-30)22-6-4-3-5-7-22)16-29-14-12-21(13-15-29)20-8-10-24(28)11-9-20/h3-11,19,21,23,25-26H,12-18H2,1-2H3,(H,31,32)/t23-,25+,26+/m0/s1 AIEWGCAUTFKWHF-SKBVVQJISA-N 50119330 (R)-2-((3S,4S)-3-((4-(4-fluorophenyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::2-{3-[4-(4-fluorophenyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}-3-methylbutanoic acid::CHEMBL322693 C-C chemokine receptor type 5 36 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119330&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501058 104012548 CHEMBL322693 ZINC13819433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417222 OC(=O)[C@@H](C1CCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C32H44N2O2/c35-32(36)31(28-16-7-8-17-28)34-23-29(30(24-34)27-14-5-2-6-15-27)22-33-20-18-26(19-21-33)13-9-12-25-10-3-1-4-11-25/h1-6,10-11,14-15,26,28-31H,7-9,12-13,16-24H2,(H,35,36)/t29-,30+,31+/m0/s1 KQPOJCCWDXCAIU-OJDZSJEKSA-N 50119342 (R)-2-cyclopentyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::2-cyclopentyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL99909 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119342&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501063 104012560 CHEMBL99909 ZINC13819441 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417223 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ncccn1 InChI=1S/C30H41N5O/c1-2-18-35(30-31-16-9-17-32-30)27-14-19-33(20-15-27)21-26-22-34(29(36)25-12-7-4-8-13-25)23-28(26)24-10-5-3-6-11-24/h2-3,5-6,9-11,16-17,25-28H,1,4,7-8,12-15,18-23H2/t26-,28+/m0/s1 PDHAEKCRTLZPTQ-XTEPFMGCSA-N 50123139 ((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone::CHEMBL135432::{(3S,4S)-3-[4-(Allyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123139&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505875 104015722 CHEMBL135432 ZINC13487345 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417224 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1cccnc1 InChI=1S/C32H46N4O2/c1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26/h3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38)/t27-,30+,31+/m0/s1 CJOPYFQSLHCHSZ-LXLYTFERSA-N 50123147 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::(R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-3-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL137728 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123147&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505879 104015730 CHEMBL137728 ZINC53204605 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417225 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C30H42FN5O2/c1-2-14-36(30-32-12-5-13-33-30)26-10-15-34(16-11-26)19-24-20-35(28(29(37)38)17-22-6-3-7-22)21-27(24)23-8-4-9-25(31)18-23/h4-5,8-9,12-13,18,22,24,26-28H,2-3,6-7,10-11,14-17,19-21H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1 ATYIPORMNOLRNY-HNPKZYAISA-N 50123136 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(propyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL428104 C-C chemokine receptor type 5 1.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123136&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9914742 104015719 CHEMBL428104 ZINC53255776 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417226 CC(C)C[C@@H](N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C30H40F2N2O2S/c1-21(2)16-29(30(35)36)34-19-24(28(20-34)23-4-3-5-26(32)17-23)18-33-13-10-22(11-14-33)12-15-37-27-8-6-25(31)7-9-27/h3-9,17,21-22,24,28-29H,10-16,18-20H2,1-2H3,(H,35,36)/t24-,28+,29+/m0/s1 LGMKPRIBFIJWTC-TUMTZTIRSA-N 50249268 (R)-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(2-(4-fluorophenylthio)ethyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)-4-methylpentanoic acid::CHEMBL471909 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249268&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565719 104103612 CHEMBL471909 ZINC40895527 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417227 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C32H41F3N2O2/c33-28-11-9-27(10-12-28)32(34,35)16-13-23-14-17-36(18-15-23)20-26-21-37(22-29(26)25-7-2-1-3-8-25)30(31(38)39)19-24-5-4-6-24/h1-3,7-12,23-24,26,29-30H,4-6,13-22H2,(H,38,39)/t26-,29+,30+/m0/s1 FKXFKQBEFHBWQP-NPBSGPTKSA-N 50121833 (R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)propanoic acid::3-(R)-Cyclobutyl-2-((S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-propionic acid::CHEMBL20622 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121833&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274043 104014586 CHEMBL20622 ZINC28235016 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417228 OC(=O)[C@@H](CC1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C34H45F3N2O2/c35-30-13-11-29(12-14-30)34(36,37)18-15-25-16-19-38(20-17-25)22-28-23-39(24-31(28)27-9-5-2-6-10-27)32(33(40)41)21-26-7-3-1-4-8-26/h2,5-6,9-14,25-26,28,31-32H,1,3-4,7-8,15-24H2,(H,40,41)/t28-,31+,32+/m0/s1 DDFIOPXESZZFRO-AVXDPSIRSA-N 50249269 (R)-3-cyclohexyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)propanoic acid::CHEMBL455073 C-C chemokine receptor type 5 0.3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249269&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565720 104103613 CHEMBL455073 ZINC44358633 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417229 OCCOC(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C33H44F2N2O4/c34-28-9-7-25(8-10-28)32(41-17-16-38)11-6-23-12-14-36(15-13-23)20-27-21-37(31(33(39)40)18-24-4-5-24)22-30(27)26-2-1-3-29(35)19-26/h1-3,7-10,19,23-24,27,30-32,38H,4-6,11-18,20-22H2,(H,39,40)/t27-,30+,31+,32?/m0/s1 MDYZZYWYELTBFK-SSMLTGEISA-N 50249270 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-3-(2-hydroxyethoxy)propyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL504250 C-C chemokine receptor type 5 3.7 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249270&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565721 104103614 CHEMBL504250 ZINC42808305 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417230 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-29(30(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)31-21-35-32(36-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t29-,30+,33+/m0/s1 OTLSHAWTFXPHJG-AARCXHMLSA-N 50249302 (R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL520755 C-C chemokine receptor type 5 0.67 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249302&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010261 104103638 CHEMBL520755 ZINC42889023 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417231 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(Cc3ccccc3)n2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-22-29(30(23-37)26-12-6-2-7-13-26)21-36-18-16-27(17-19-36)31-24-40-32(35-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,24,27-30,33H,3,8-9,14-23H2,(H,38,39)/t29-,30+,33+/m0/s1 HSGMOZQNCPRWOD-AARCXHMLSA-N 50249303 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-4-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL481080 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249303&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010262 104103639 CHEMBL481080 ZINC49867664 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417232 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O3/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,32+/m0/s1 RLWWCATZTPAPKW-JIZBBPSKSA-N 50249304 (R)-2-((3S,4S)-3-((4-(5-benzyloxazol-2-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL481274 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249304&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010265 104103640 CHEMBL481274 ZINC49867220 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417233 CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C31H40N4O2/c1-22(2)30(31(36)37)35-20-26(27(21-35)24-11-7-4-8-12-24)19-34-15-13-25(14-16-34)28-18-32-29(33-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,32,33)(H,36,37)/t26-,27+,30+/m0/s1 FSIBUKMTKYVVLL-PVTPYKNESA-N 50249332 (R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::CHEMBL471765 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249332&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010266 104103659 CHEMBL471765 ZINC33503566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417234 CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C31H39N3O3/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,30+/m0/s1 RNPPRRQXTVGBHF-PVTPYKNESA-N 50249333 (R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::CHEMBL471766 C-C chemokine receptor type 5 3.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249333&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010269 104103660 CHEMBL471766 ZINC33503567 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417235 CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C31H39N3O2S/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,30+/m0/s1 SGVAGNDDAYRYKV-PVTPYKNESA-N 50249334 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::CHEMBL513564 C-C chemokine receptor type 5 0.51 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249334&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010272 104103661 CHEMBL513564 ZINC33503568 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417236 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 InChI=1S/C33H41N3O2S/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29+,30+/m0/s1 UUQGJUFZXHHWRQ-FRXPANAUSA-N 50249365 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclobutylpropanoic acid::CHEMBL511493 C-C chemokine receptor type 5 0.23 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249365&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010274 104103687 CHEMBL511493 ZINC42851323 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417237 CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C35H46N4O2/c1-2-31-34(37-33(36-31)21-26-10-5-3-6-11-26)28-16-18-38(19-17-28)22-29-23-39(24-30(29)27-14-7-4-8-15-27)32(35(40)41)20-25-12-9-13-25/h3-8,10-11,14-15,25,28-30,32H,2,9,12-13,16-24H2,1H3,(H,36,37)(H,40,41)/t29-,30+,32+/m0/s1 LVGIIMUKRFZJRI-XAGDYJCDSA-N 50249366 (R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethyl-1H-imidazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclobutylpropanoic acid::CHEMBL500631 C-C chemokine receptor type 5 0.57 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249366&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565761 104103688 CHEMBL500631 ZINC42807331 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417238 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2[nH]c(Cc3ccccc3)nc2Cl)[C@H](C1)c1ccccc1 InChI=1S/C33H41ClN4O2/c34-32-31(35-30(36-32)19-24-8-3-1-4-9-24)26-14-16-37(17-15-26)20-27-21-38(22-28(27)25-12-5-2-6-13-25)29(33(39)40)18-23-10-7-11-23/h1-6,8-9,12-13,23,26-29H,7,10-11,14-22H2,(H,35,36)(H,39,40)/t27-,28+,29+/m0/s1 YMDOMKSTYDVLJM-ZGIBFIJWSA-N 50249367 (R)-2-((3S,4S)-3-((4-(2-benzyl-4-chloro-1H-imidazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclobutylpropanoic acid::CHEMBL472412 C-C chemokine receptor type 5 0.6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249367&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565762 104103689 CHEMBL472412 ZINC44418284 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417239 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ccccc23)[C@H](C1)c1ccccc1 InChI=1S/C31H40N4O2/c36-31(37)30(24-11-5-2-6-12-24)34-20-25(27(21-34)23-9-3-1-4-10-23)19-33-17-15-26(16-18-33)35-22-32-28-13-7-8-14-29(28)35/h1,3-4,7-10,13-14,22,24-27,30H,2,5-6,11-12,15-21H2,(H,36,37)/t25-,27+,30+/m0/s1 QRUOSJZEFNEZHQ-UJCCJREASA-N 50165094 (R)-2-((3S,4S)-3-((4-(1H-benzo[d]imidazol-1-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::(R)-[(3S,4S)-3-(4-Benzoimidazol-1-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-acetic acid::CHEMBL364070 C-C chemokine receptor type 5 2.5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165094&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664156 104050689 CHEMBL364070 ZINC28523196 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417240 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2nnc3ccccn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-8-4-7-22(16-24)25-19-34(26(29(36)37)15-20-5-3-6-20)18-23(25)17-33-13-10-21(11-14-33)28-32-31-27-9-1-2-12-35(27)28/h1-2,4,7-9,12,16,20-21,23,25-26H,3,5-6,10-11,13-15,17-19H2,(H,36,37)/t23-,25+,26+/m0/s1 HVBRVLCGEPYEFA-SKBVVQJISA-N 50249397 (R)-2-((3S,4S)-3-((4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclobutylpropanoic acid::CHEMBL474838 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249397&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664115 104103714 CHEMBL474838 ZINC33817883 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417241 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3cccnn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-7-2-6-22(15-24)25-19-34(26(29(36)37)14-20-4-1-5-20)18-23(25)17-33-12-9-21(10-13-33)27-16-31-28-8-3-11-32-35(27)28/h2-3,6-8,11,15-16,20-21,23,25-26H,1,4-5,9-10,12-14,17-19H2,(H,36,37)/t23-,25+,26+/m0/s1 BOGAYSMNQZYGTC-SKBVVQJISA-N 50249398 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL475606 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249398&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565791 104103715 CHEMBL475606 ZINC33817888 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417242 CCC(CC)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H47FN4O2/c1-4-26(5-2)34(35(41)42)39-23-29(32(24-39)28-13-10-14-30(36)20-28)22-38-17-15-27(16-18-38)33-21-31(37-40(33)6-3)19-25-11-8-7-9-12-25/h7-14,20-21,26-27,29,32,34H,4-6,15-19,22-24H2,1-3H3,(H,41,42)/t29-,32+,34+/m0/s1 VGAHBVMCYNCLAQ-ABAVYFCKSA-N 50141880 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-ethylpentanoic acid::2-[3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-ethyl-pentanoic acid::CHEMBL435727 C-C chemokine receptor type 5 0.9 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141880&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516366 104031333 CHEMBL435727 ZINC28008924 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417243 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2[nH]ncc2Cc2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-30(31(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)32-29(21-35-36-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-28,30-31,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t30-,31+,33+/m0/s1 PFQMJEOTSDKJES-RKKDRKJOSA-N 50141833 (R)-2-((3S,4S)-3-((4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353827::{3-[4-(4-Benzyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 4.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141833&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516334 104031286 CHEMBL353827 ZINC28007430 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417244 CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C37H50N4O2/c1-2-20-41-35(24-33(38-41)23-28-12-6-3-7-13-28)30-18-21-39(22-19-30)25-32-26-40(27-34(32)29-14-8-4-9-15-29)36(37(42)43)31-16-10-5-11-17-31/h3-4,6-9,12-15,24,30-32,34,36H,2,5,10-11,16-23,25-27H2,1H3,(H,42,43)/t32-,34+,36+/m0/s1 JDBQXMMPIGKZPM-DELQJEEYSA-N 50141860 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-propyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL367421::{3-[4-(5-Benzyl-2-propyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 4.6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141860&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516327 104031313 CHEMBL367421 ZINC28010415 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417245 CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C38H52N4O2/c1-2-3-21-42-36(25-34(39-42)24-29-13-7-4-8-14-29)31-19-22-40(23-20-31)26-33-27-41(28-35(33)30-15-9-5-10-16-30)37(38(43)44)32-17-11-6-12-18-32/h4-5,7-10,13-16,25,31-33,35,37H,2-3,6,11-12,17-24,26-28H2,1H3,(H,43,44)/t33-,35+,37+/m0/s1 XKTMBPJXKQPVLC-CVZYHWGHSA-N 50141862 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-butyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL366536::{3-[4-(5-Benzyl-2-butyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141862&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516328 104031315 CHEMBL366536 ZINC28011905 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417246 CC(C)(c1cc(n[nH]1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ccccc1 InChI=1S/C36H48N4O2/c1-36(2,30-16-10-5-11-17-30)33-22-32(37-38-33)27-18-20-39(21-19-27)23-29-24-40(25-31(29)26-12-6-3-7-13-26)34(35(41)42)28-14-8-4-9-15-28/h3,5-7,10-13,16-17,22,27-29,31,34H,4,8-9,14-15,18-21,23-25H2,1-2H3,(H,37,38)(H,41,42)/t29-,31+,34+/m0/s1 ILSXRTHCNZMMFN-JUERCWOXSA-N 50249431 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL499793 C-C chemokine receptor type 5 11.5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249431&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516357 104103742 CHEMBL499793 ZINC49889156 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417247 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H43FN2O2/c33-29-14-6-13-27(20-29)30-23-35(31(32(36)37)19-26-11-5-12-26)22-28(30)21-34-17-15-25(16-18-34)10-4-9-24-7-2-1-3-8-24/h1-3,6-8,13-14,20,25-26,28,30-31H,4-5,9-12,15-19,21-23H2,(H,36,37)/t28-,30+,31+/m0/s1 OMBXIIQERBKCSZ-FAOMPSFFSA-N 50121832 (R)-3-Cyclobutyl-2-{(S)-3-(3-fluoro-phenyl)-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL278085 C-C chemokine receptor type 5 0.5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121832&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20672386 104014585 CHEMBL278085 ZINC13479579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417248 OC(=O)[C@@H](C1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C31H42N2O2/c34-31(35)30(27-15-8-16-27)33-22-28(29(23-33)26-13-5-2-6-14-26)21-32-19-17-25(18-20-32)12-7-11-24-9-3-1-4-10-24/h1-6,9-10,13-14,25,27-30H,7-8,11-12,15-23H2,(H,34,35)/t28-,29+,30+/m0/s1 QAAUGXPLWDIPBN-FRXPANAUSA-N 50119349 (R)-2-cyclobutyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::2-cyclobutyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL320386 C-C chemokine receptor type 5 0.1 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119349&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501060 104012567 CHEMBL320386 ZINC13819437 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417249 OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C31H45N3O/c35-31(15-7-11-26-12-8-18-32-21-26)16-19-33(20-17-31)23-29-24-34(22-27-9-3-1-4-10-27)25-30(29)28-13-5-2-6-14-28/h2,5-6,8,12-14,18,21,27,29-30,35H,1,3-4,7,9-11,15-17,19-20,22-25H2/t29-,30+/m0/s1 RESTXJLMXFJGHZ-XZWHSSHBSA-N 50119328 1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-(3-(pyridin-3-yl)propyl)piperidin-4-ol::1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-3-yl-propyl)-piperidin-4-ol::CHEMBL419895 C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119328&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496984 104012546 CHEMBL419895 ZINC13819414 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417250 OC(=O)c1ccccc1CCCC1(O)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C33H46N2O3/c36-32(37)30-16-8-7-14-27(30)15-9-17-33(38)18-20-34(21-19-33)23-29-24-35(22-26-10-3-1-4-11-26)25-31(29)28-12-5-2-6-13-28/h2,5-8,12-14,16,26,29,31,38H,1,3-4,9-11,15,17-25H2,(H,36,37)/t29-,31+/m0/s1 RPFXOBKYZGYLDY-IGYGKHONSA-N 50119319 2-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)benzoic acid::2-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-benzoic acid::CHEMBL103268 C-C chemokine receptor type 5 100 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119319&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496970 104012537 CHEMBL103268 ZINC13819406 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417251 OC(=O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 InChI=1S/C33H46N2O3/c36-32(37)29-15-7-11-26(21-29)12-8-16-33(38)17-19-34(20-18-33)23-30-24-35(22-27-9-3-1-4-10-27)25-31(30)28-13-5-2-6-14-28/h2,5-7,11,13-15,21,27,30-31,38H,1,3-4,8-10,12,16-20,22-25H2,(H,36,37)/t30-,31+/m0/s1 PECQGQFPDDXSPX-IOWSJCHKSA-N 50119318 3-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)benzoic acid::3-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-benzoic acid::CHEMBL318909 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119318&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496971 104012536 CHEMBL318909 ZINC13819408 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417252 OC(=O)c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C33H46N2O3/c36-32(37)29-15-13-26(14-16-29)10-7-17-33(38)18-20-34(21-19-33)23-30-24-35(22-27-8-3-1-4-9-27)25-31(30)28-11-5-2-6-12-28/h2,5-6,11-16,27,30-31,38H,1,3-4,7-10,17-25H2,(H,36,37)/t30-,31+/m0/s1 JGWJYEWLWJJIHL-IOWSJCHKSA-N 50119320 4-(3-(1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)-4-hydroxypiperidin-4-yl)propyl)benzoic acid::4-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-benzoic acid::CHEMBL319689 C-C chemokine receptor type 5 10 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119320&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 496972 104012538 CHEMBL319689 ZINC13819410 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417253 OC1(CCCc2ccc(cc2)-c2nnn[nH]2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 InChI=1S/C33H46N6O/c40-33(17-7-10-26-13-15-29(16-14-26)32-34-36-37-35-32)18-20-38(21-19-33)23-30-24-39(22-27-8-3-1-4-9-27)25-31(30)28-11-5-2-6-12-28/h2,5-6,11-16,27,30-31,40H,1,3-4,7-10,17-25H2,(H,34,35,36,37)/t30-,31+/m0/s1 MYTRYQKUDUGKTA-IOWSJCHKSA-N 50119321 1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-{3-[4-(1H-tetrazol-5-yl)-phenyl]-propyl}-piperidin-4-ol::1-(1-cyclohexylmethyl-4-phenyltetrahydro-1H-3-pyrrolylmethyl)-4-{3-[4-(1H-1,2,3,4-tetraazol-5-yl)phenyl]propyl}hexahydro-4-pyridinol::4-(3-(4-(1H-tetrazol-5-yl)phenyl)propyl)-1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-ol::CHEMBL319593 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119321&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10414981 104012539 CHEMBL319593 ZINC26752204 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417254 OC(=O)[C@H](N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C33H40N2O3/c36-32(37)31(28-16-8-3-9-17-28)35-24-29(30(25-35)27-14-6-2-7-15-27)23-34-21-19-33(38,20-22-34)18-10-13-26-11-4-1-5-12-26/h1-9,11-12,14-17,29-31,38H,10,13,18-25H2,(H,36,37)/t29-,30+,31+/m0/s1 HIMJKDLIRVULLJ-OJDZSJEKSA-N 50119337 (R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-phenylacetic acid::2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}-2-phenylacetic acid::CHEMBL101961 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119337&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501051 104012555 CHEMBL101961 ZINC26823837 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417255 CC(C)[C@@H](N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C30H42N2O3/c1-23(2)28(29(33)34)32-21-26(27(22-32)25-13-7-4-8-14-25)20-31-18-16-30(35,17-19-31)15-9-12-24-10-5-3-6-11-24/h3-8,10-11,13-14,23,26-28,35H,9,12,15-22H2,1-2H3,(H,33,34)/t26-,27+,28+/m0/s1 JWVCFPSKCYJGBK-UPRLRBBYSA-N 50119345 (R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}-3-methylbutanoic acid::CHEMBL318210 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501052 104012563 CHEMBL318210 ZINC13819422 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417256 C[C@@H](N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C28H38N2O3/c1-22(27(31)32)30-20-25(26(21-30)24-12-6-3-7-13-24)19-29-17-15-28(33,16-18-29)14-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,22,25-26,33H,8,11,14-21H2,1H3,(H,31,32)/t22-,25+,26-/m1/s1 ZTXWLTCCHFRZOL-ZSQFBXSQSA-N 50119339 (R)-2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)propanoic acid::2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}propanoic acid::CHEMBL102675 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119339&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501053 104012557 CHEMBL102675 ZINC13819424 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417257 OC(=O)CN1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C27H36N2O3/c30-26(31)21-29-19-24(25(20-29)23-11-5-2-6-12-23)18-28-16-14-27(32,15-17-28)13-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-12,24-25,32H,7,10,13-21H2,(H,30,31)/t24-,25+/m0/s1 CTJKYRODXZKJFT-LOSJGSFVSA-N 50119340 2-((3S,4S)-3-((4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::2-{3-[4-hydroxy-4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL102674 C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119340&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501054 104012558 CHEMBL102674 ZINC13819427 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417258 CC(C)[C@@H](N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C30H42N2O2/c1-23(2)29(30(33)34)32-21-27(28(22-32)26-14-7-4-8-15-26)20-31-18-16-25(17-19-31)13-9-12-24-10-5-3-6-11-24/h3-8,10-11,14-15,23,25,27-29H,9,12-13,16-22H2,1-2H3,(H,33,34)/t27-,28+,29+/m0/s1 LMPPVKFSFVAECO-ZGIBFIJWSA-N 50119333 (R)-3-methyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)butanoic acid::3-methyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}butanoic acid::CHEMBL318406 C-C chemokine receptor type 5 0.7 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119333&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501056 104012551 CHEMBL318406 ZINC13819431 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417259 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ccc(F)cc2)[C@H](C1)c1ccccc1 InChI=1S/C30H39FN2O2/c31-27-13-11-22(12-14-27)23-15-17-32(18-16-23)19-26-20-33(21-28(26)24-7-3-1-4-8-24)29(30(34)35)25-9-5-2-6-10-25/h1,3-4,7-8,11-14,23,25-26,28-29H,2,5-6,9-10,15-21H2,(H,34,35)/t26-,28+,29+/m0/s1 VOLDNXUFIUKWPL-WIIGKZCBSA-N 50119348 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(4-fluorophenyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::2-cyclohexyl-2-{3-[4-(4-fluorophenyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL103782 C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501057 104012566 CHEMBL103782 ZINC52603744 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417260 OC(=O)[C@@H](C1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C30H40N2O2/c33-30(34)29(26-14-15-26)32-21-27(28(22-32)25-12-5-2-6-13-25)20-31-18-16-24(17-19-31)11-7-10-23-8-3-1-4-9-23/h1-6,8-9,12-13,24,26-29H,7,10-11,14-22H2,(H,33,34)/t27-,28+,29+/m0/s1 OPTDOXJRILUDSH-ZGIBFIJWSA-N 50119335 (R)-2-cyclopropyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::2-cyclopropyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL318681 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119335&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 501059 104012553 CHEMBL318681 ZINC13819435 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417261 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1 InChI=1S/C31H42N2O2/c34-31(35)30(20-26-14-15-26)33-22-28(29(23-33)27-12-5-2-6-13-27)21-32-18-16-25(17-19-32)11-7-10-24-8-3-1-4-9-24/h1-6,8-9,12-13,25-26,28-30H,7,10-11,14-23H2,(H,34,35)/t28-,29+,30+/m0/s1 HIHMSQGASZUHDX-FRXPANAUSA-N 50119341 (R)-3-cyclopropyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylpropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-cyclopropyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}propanoic acid::CHEMBL316475 C-C chemokine receptor type 5 0.1 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119341&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44332684 104012559 CHEMBL316475 ZINC13819439 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417262 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)N2CCCC2)CC1)c1ccccn1 InChI=1S/C29H41N5O/c1-2-16-34(28-12-6-7-15-30-28)26-13-19-31(20-14-26)21-25-22-33(29(35)32-17-8-9-18-32)23-27(25)24-10-4-3-5-11-24/h3-7,10-12,15,25-27H,2,8-9,13-14,16-23H2,1H3/t25-,27+/m0/s1 VFWZVVDVMDAVKC-AHKZPQOWSA-N 50123146 ((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)(pyrrolidin-1-yl)methanone::CHEMBL137524::{(3S,4S)-3-Phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-pyrrolidin-1-yl-methanone C-C chemokine receptor type 5 9 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123146&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505866 104015729 CHEMBL137524 ZINC13487338 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417263 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCC2)CC1)c1ccccn1 InChI=1S/C29H40N4O/c1-2-17-33(28-13-6-7-16-30-28)26-14-18-31(19-15-26)20-25-21-32(29(34)24-11-8-12-24)22-27(25)23-9-4-3-5-10-23/h3-7,9-10,13,16,24-27H,2,8,11-12,14-15,17-22H2,1H3/t25-,27+/m0/s1 OAXSOMBRDKAEHG-AHKZPQOWSA-N 50123149 CHEMBL138645::Cyclobutyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone::cyclobutyl((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)methanone C-C chemokine receptor type 5 10 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123149&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505867 104015732 CHEMBL138645 ZINC13487339 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417264 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 InChI=1S/C31H44N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h3,5-6,9-12,15,18,26-29H,2,4,7-8,13-14,16-17,19-24H2,1H3/t27-,29+/m0/s1 FCCZWTBDYBVQPP-LMSSTIIKSA-N 50123143 CHEMBL137072::Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone::cyclohexyl((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)methanone C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123143&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505868 104015726 CHEMBL137072 ZINC13487340 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417265 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1cccnc1 InChI=1S/C31H42N4O/c1-2-18-35(29-14-9-17-32-21-29)28-15-19-33(20-16-28)22-27-23-34(31(36)26-12-7-4-8-13-26)24-30(27)25-10-5-3-6-11-25/h2-3,5-6,9-11,14,17,21,26-28,30H,1,4,7-8,12-13,15-16,18-20,22-24H2/t27-,30+/m0/s1 YTDFWQAHEGHFQA-BHBYDHKZSA-N 50123126 ((3S,4S)-3-((4-(allyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone::CHEMBL137206::{(3S,4S)-3-[4-(Allyl-pyridin-3-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123126&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505873 104015709 CHEMBL137206 ZINC13487343 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417266 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccncc1 InChI=1S/C31H42N4O/c1-2-19-35(28-13-17-32-18-14-28)29-15-20-33(21-16-29)22-27-23-34(31(36)26-11-7-4-8-12-26)24-30(27)25-9-5-3-6-10-25/h2-3,5-6,9-10,13-14,17-18,26-27,29-30H,1,4,7-8,11-12,15-16,19-24H2/t27-,30+/m0/s1 DOGXFXDKOAITDQ-BHBYDHKZSA-N 50123144 ((3S,4S)-3-((4-(allyl(pyridin-4-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone::CHEMBL137650::{(3S,4S)-3-[4-(Allyl-pyridin-4-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 66 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123144&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505874 104015727 CHEMBL137650 ZINC13487344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417267 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C31H45N5O2/c1-2-18-36(31-32-16-9-17-33-31)27-14-19-34(20-15-27)21-26-22-35(23-28(26)24-10-5-3-6-11-24)29(30(37)38)25-12-7-4-8-13-25/h3,5-6,9-11,16-17,25-29H,2,4,7-8,12-15,18-23H2,1H3,(H,37,38)/t26-,28+,29+/m0/s1 PBQIQXDKWBWMSH-WIIGKZCBSA-N 50123142 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::(R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL137038 C-C chemokine receptor type 5 6.6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123142&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505880 104015725 CHEMBL137038 ZINC27436544 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417268 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H42F2N2O2/c33-28-12-10-23(11-13-28)4-1-5-24-14-16-35(17-15-24)20-27-21-36(31(32(37)38)18-25-6-2-7-25)22-30(27)26-8-3-9-29(34)19-26/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,37,38)/t27-,30+,31+/m0/s1 WPQUSTXDJJWMBZ-LXLYTFERSA-N 50121840 (R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL281607 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121840&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273960 104014593 CHEMBL281607 ZINC28235872 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417269 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(cc3)C(F)(F)F)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C33H42F4N2O2/c34-29-9-3-8-26(19-29)30-22-39(31(32(40)41)18-25-6-2-7-25)21-27(30)20-38-16-14-24(15-17-38)5-1-4-23-10-12-28(13-11-23)33(35,36)37/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,40,41)/t27-,30+,31+/m0/s1 UPFGSIPNBKPQPB-LXLYTFERSA-N 50121828 (R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[3-(4-trifluoromethyl-phenyl)-propyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-(trifluoromethyl)phenyl)propyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL21147 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121828&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273830 104014582 CHEMBL21147 ZINC28231315 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417270 CC(C)C[C@@H](N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C30H40F2N2O4S/c1-21(2)16-29(30(35)36)34-19-24(28(20-34)23-4-3-5-26(32)17-23)18-33-13-10-22(11-14-33)12-15-39(37,38)27-8-6-25(31)7-9-27/h3-9,17,21-22,24,28-29H,10-16,18-20H2,1-2H3,(H,35,36)/t24-,28+,29+/m0/s1 CUHGPASOBZRQFT-TUMTZTIRSA-N 50249267 (R)-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(2-(4-fluorophenylsulfonyl)ethyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)-4-methylpentanoic acid::CHEMBL470510 C-C chemokine receptor type 5 0.9 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249267&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565718 104103611 CHEMBL470510 ZINC44406229 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417271 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H40F2N2O2S/c32-26-7-9-28(10-8-26)38-16-13-22-11-14-34(15-12-22)19-25-20-35(30(31(36)37)17-23-3-1-4-23)21-29(25)24-5-2-6-27(33)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,36,37)/t25-,29+,30+/m0/s1 IIBJTLJAZGFEHF-AWJLRTIGSA-N 50121836 (R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[2-(4-fluoro-phenylsulfanyl)-ethyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(2-(4-fluorophenylthio)ethyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL20345 C-C chemokine receptor type 5 0.1 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121836&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273531 104014589 CHEMBL20345 ZINC53260351 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417272 CC(C)C[C@@H](N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C31H40F4N2O2/c1-21(2)16-29(30(38)39)37-19-24(28(20-37)23-4-3-5-27(33)17-23)18-36-14-11-22(12-15-36)10-13-31(34,35)25-6-8-26(32)9-7-25/h3-9,17,21-22,24,28-29H,10-16,18-20H2,1-2H3,(H,38,39)/t24-,28+,29+/m0/s1 FVTAFOSCFIQSHW-TUMTZTIRSA-N 50249301 (R)-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-4-methylpentanoic acid::CHEMBL471920 C-C chemokine receptor type 5 0.5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565742 104103637 CHEMBL471920 ZINC44418652 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417273 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H38F4N2O2/c32-26-8-6-25(7-9-26)31(34,35)13-10-21-11-14-36(15-12-21)18-24-19-37(29(30(38)39)16-22-4-5-22)20-28(24)23-2-1-3-27(33)17-23/h1-3,6-9,17,21-22,24,28-29H,4-5,10-16,18-20H2,(H,38,39)/t24-,28+,29+/m0/s1 IAJNZPZRAMWRRM-TUMTZTIRSA-N 50121838 (R)-3-cyclopropyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)propanoic acid::3-(R)-Cyclopropyl-2-[(S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL21106 C-C chemokine receptor type 5 0.06 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121838&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10076141 104014591 CHEMBL21106 ZINC52987911 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417274 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H40F4N2O2/c33-27-9-7-26(8-10-27)32(35,36)14-11-22-12-15-37(16-13-22)19-25-20-38(30(31(39)40)17-23-3-1-4-23)21-29(25)24-5-2-6-28(34)18-24/h2,5-10,18,22-23,25,29-30H,1,3-4,11-17,19-21H2,(H,39,40)/t25-,29+,30+/m0/s1 SFNJKKWRQWUNJB-AWJLRTIGSA-N 50121818 (R)-3-cyclobutyl-2-((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)propanoic acid::3-(R)-Cyclobutyl-2-[(S)-3-{4-[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL21117 C-C chemokine receptor type 5 0.3 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121818&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10347790 104014572 CHEMBL21117 ZINC53260426 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417275 OC(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C31H40F2N2O3/c32-26-9-7-23(8-10-26)30(36)11-6-21-12-14-34(15-13-21)18-25-19-35(29(31(37)38)16-22-4-5-22)20-28(25)24-2-1-3-27(33)17-24/h1-3,7-10,17,21-22,25,28-30,36H,4-6,11-16,18-20H2,(H,37,38)/t25-,28+,29+,30?/m0/s1 DMEZRLWWNBWQGR-HCKVQAOWSA-N 50121837 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-3-hydroxypropyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-Cyclopropyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[(R)-3-(4-fluoro-phenyl)-3-hydroxy-propyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL20453 C-C chemokine receptor type 5 0.4 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121837&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273996 104014590 CHEMBL20453 ZINC28236481 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417276 OCC(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C32H42F2N2O3/c33-28-10-8-24(9-11-28)26(21-37)7-6-22-12-14-35(15-13-22)18-27-19-36(31(32(38)39)16-23-4-5-23)20-30(27)25-2-1-3-29(34)17-25/h1-3,8-11,17,22-23,26-27,30-31,37H,4-7,12-16,18-21H2,(H,38,39)/t26?,27-,30+,31+/m0/s1 NMMHDJMVQJIRJO-KMXYOEAISA-N 50121841 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-4-hydroxybutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-Cyclopropyl-2-((S)-3-((R)-3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-4-hydroxy-butyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL417825 C-C chemokine receptor type 5 4.8 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121841&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274042 104014594 CHEMBL417825 ZINC28234835 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417277 CC(O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C32H42F2N2O3/c1-32(39,26-7-9-27(33)10-8-26)14-11-22-12-15-35(16-13-22)19-25-20-36(30(31(37)38)17-23-5-6-23)21-29(25)24-3-2-4-28(34)18-24/h2-4,7-10,18,22-23,25,29-30,39H,5-6,11-17,19-21H2,1H3,(H,37,38)/t25-,29+,30+,32?/m0/s1 JJRGEKBCROFWOB-MDCVBHJHSA-N 50121826 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-3-hydroxybutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::3-Cyclopropyl-2-((S)-3-((R)-3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-3-hydroxy-butyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL20598 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121826&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44274090 104014580 CHEMBL20598 ZINC28235867 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417278 COC(=O)C(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1 InChI=1S/C33H42F2N2O4/c1-41-33(40)29(24-8-10-27(34)11-9-24)12-7-22-13-15-36(16-14-22)19-26-20-37(31(32(38)39)17-23-5-6-23)21-30(26)25-3-2-4-28(35)18-25/h2-4,8-11,18,22-23,26,29-31H,5-7,12-17,19-21H2,1H3,(H,38,39)/t26-,29?,30+,31+/m0/s1 QLDJHSRGZNOSDW-LENPYACBSA-N 50121825 (2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-4-methoxy-4-oxobutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::4-{1-[(S)-1-(1-Carboxy-2-cyclopropyl-ethyl)-4-((R)-3-fluoro-phenyl)-pyrrolidin-3-ylmethyl]-piperidin-4-yl}-2-(4-fluoro-phenyl)-butyric acid methyl ester::CHEMBL283788 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50121825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50121825&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44273872 104014579 CHEMBL283788 ZINC28232502 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417279 C([C@H]1[C@@H]2C[C@H](ON2C[C@@H]1c1ccccc1)c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C30H34N2O/c1-4-10-23(11-5-1)24-16-18-31(19-17-24)21-28-27(25-12-6-2-7-13-25)22-32-29(28)20-30(33-32)26-14-8-3-9-15-26/h1-15,24,27-30H,16-22H2/t27-,28-,29+,30+/m1/s1 XCTHXSXPXQNXKY-XAZDILKDSA-N 50110087 (2S,3aS,4S,5S)-2,5-Diphenyl-4-(4-phenyl-piperidin-1-ylmethyl)-hexahydro-pyrrolo[1,2-b]isoxazole::(2S,3aS,4S,5S)-2,5-diphenyl-4-((4-phenylpiperidin-1-yl)methyl)hexahydropyrrolo[1,2-b]isoxazole::CHEMBL161594 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110087&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44374086 104004975 CHEMBL161594 ZINC13439113 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417280 CCN(C1CCN(C[C@H]2[C@@H]3C[C@H](ON3C[C@@H]2c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C34H41N3O3/c1-2-36(34(38)39-25-26-12-6-3-7-13-26)29-18-20-35(21-19-29)23-31-30(27-14-8-4-9-15-27)24-37-32(31)22-33(40-37)28-16-10-5-11-17-28/h3-17,29-33H,2,18-25H2,1H3/t30-,31-,32+,33+/m1/s1 WIIDGEGJDZSGHC-FYZVQMPESA-N 50110100 CHEMBL158438::[1-((2S,3aS,4S,5S)-2,5-Diphenyl-hexahydro-pyrrolo[1,2-b]isoxazol-4-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester::benzyl 1-(((2S,3aS,4S,5S)-2,5-diphenylhexahydropyrrolo[1,2-b]isoxazol-4-yl)methyl)piperidin-4-yl(ethyl)carbamate C-C chemokine receptor type 5 46 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110100&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44374136 104004988 CHEMBL158438 ZINC27734370 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417281 C([C@H]1[C@@H]2CC3(CCCCC3)ON2C[C@@H]1c1ccccc1)N1CCC(CC1)c1ccccc1 InChI=1S/C29H38N2O/c1-4-10-23(11-5-1)24-14-18-30(19-15-24)21-27-26(25-12-6-2-7-13-25)22-31-28(27)20-29(32-31)16-8-3-9-17-29/h1-2,4-7,10-13,24,26-28H,3,8-9,14-22H2/t26-,27-,28+/m1/s1 FSDGIZCOZRCCMO-FCEKVYKBSA-N 50110098 (3a'S,4'S,5'S)-5'-phenyl-4'-((4-phenylpiperidin-1-yl)methyl)tetrahydro-3'H-spiro[cyclohexane-1,2'-pyrrolo[1,2-b]isoxazole]::5'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-4-yl(4-phenylhexahydro-1-pyridinyl)methane::CHEMBL539943 C-C chemokine receptor type 5 33 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110098&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373768 104004986 CHEMBL539943 ZINC13439127 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417282 CCN(C1CCN(C[C@H]2[C@@H]3CC4(CCCCC4)ON3C[C@@H]2c2ccccc2)CC1)C(=O)OCc1ccccc1 InChI=1S/C33H45N3O3/c1-2-35(32(37)38-25-26-12-6-3-7-13-26)28-16-20-34(21-17-28)23-30-29(27-14-8-4-9-15-27)24-36-31(30)22-33(39-36)18-10-5-11-19-33/h3-4,6-9,12-15,28-31H,2,5,10-11,16-25H2,1H3/t29-,30-,31+/m1/s1 ZTKPOMSHWQYZEG-OLUZHXLYSA-N 50110089 4N-ethyl-4N-[benzyloxycarbonyl]-1-[5'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-4-ylmethyl]hexahydro-4-pyridinamine::CHEMBL161480::benzyl ethyl(1-(((3a'S,4'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,2'-pyrrolo[1,2-b]isoxazole]-4'-yl)methyl)piperidin-4-yl)carbamate C-C chemokine receptor type 5 86 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110089&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373748 104004977 CHEMBL161480 ZINC27741015 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417283 [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3[C@@H]4CC5(CCCCC5)ON4C[C@@H]3c3ccccc3)CC2)cc1 InChI=1S/C34H44N4O5/c1-2-19-36(33(39)42-25-26-11-13-29(14-12-26)38(40)41)28-15-20-35(21-16-28)23-31-30(27-9-5-3-6-10-27)24-37-32(31)22-34(43-37)17-7-4-8-18-34/h2-3,5-6,9-14,28,30-32H,1,4,7-8,15-25H2/t30-,31-,32+/m1/s1 BPMDYCAPYKCBNC-IWWXRALLSA-N 50110097 4-nitrobenzyl allyl(1-(((3a'S,4'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,2'-pyrrolo[1,2-b]isoxazole]-4'-yl)methyl)piperidin-4-yl)carbamate::4N-allyl-4N-[4-nitrobenzyloxycarbonyl]-1-[5'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-4-ylmethyl]hexahydro-4-pyridinamine::CHEMBL157983 C-C chemokine receptor type 5 14 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50110097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50110097&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44373973 104004985 CHEMBL157983 ZINC27736576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417284 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(no2)-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H41N3O3/c37-33(38)32(27-14-8-3-9-15-27)36-22-28(29(23-36)24-10-4-1-5-11-24)21-35-18-16-26(17-19-35)31-20-30(34-39-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,20,26-29,32H,3,8-9,14-19,21-23H2,(H,37,38)/t28-,29+,32+/m0/s1 KMJXNUMOUQQANC-NPLMNSEMSA-N 50249395 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylisoxazol-5-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL511806 C-C chemokine receptor type 5 18.1 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249395&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010256 104103712 CHEMBL511806 ZINC42851761 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50417285 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2nocc2-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H41N3O3/c37-33(38)32(27-14-8-3-9-15-27)36-21-28(29(22-36)24-10-4-1-5-11-24)20-35-18-16-26(17-19-35)31-30(23-39-34-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,23,26-29,32H,3,8-9,14-22H2,(H,37,38)/t28-,29+,32+/m0/s1 GSMNVYBDJYKVCY-NPLMNSEMSA-N 50249396 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(4-phenylisoxazol-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL470507 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.ejmech.2008.01.040 10.7270/Q2G44Q3W 18538451 Zhuo, Y; Kong, R; Cong, XJ; Chen, WZ; Wang, CX Beijing University of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249396&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010257 104103713 CHEMBL470507 ZINC44406142 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440372 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(=O)C1CCOCC1 InChI=1S/C32H51N5O3/c1-5-6-7-27-22-36(29(38)26-8-20-40-21-9-26)17-12-32(27)13-18-37(19-14-32)31(4)10-15-35(16-11-31)30(39)28-24(2)33-23-34-25(28)3/h23,26-27H,5-22H2,1-4H3 CTAMMHHPBUPEQT-UHFFFAOYSA-N 50254671 (1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl)(tetrahydro-2H-pyran-4-yl)methanone::CHEMBL515097 C-C chemokine receptor type 5 >500 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254671&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230769 104106843 CHEMBL515097 ZINC42852218 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440373 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N)C(=O)C1CCOCC1 InChI=1S/C34H51N5O3/c1-5-6-7-28-24-38(31(40)27-8-20-42-21-9-27)17-12-34(28)13-18-39(19-14-34)33(4)10-15-37(16-11-33)32(41)30-25(2)22-29(23-35)36-26(30)3/h22,27-28H,5-21,24H2,1-4H3 ANPTZVJWLKOADS-UHFFFAOYSA-N 50254672 5-(4-(7-butyl-9-(tetrahydro-2H-pyran-4-carbonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidine-1-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL505595 C-C chemokine receptor type 5 217 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254672&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230770 104106844 CHEMBL505595 ZINC42835487 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440374 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(=O)OC1CCOCC1 InChI=1S/C32H51N5O4/c1-5-6-7-26-22-36(30(39)41-27-8-20-40-21-9-27)17-12-32(26)13-18-37(19-14-32)31(4)10-15-35(16-11-31)29(38)28-24(2)33-23-34-25(28)3/h23,26-27H,5-22H2,1-4H3 ABQNGYAYTGTYRC-UHFFFAOYSA-N 50254673 CHEMBL499729::tetrahydro-2H-pyran-4-yl 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate C-C chemokine receptor type 5 349 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254673&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230896 104106845 CHEMBL499729 ZINC49889209 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440375 CCCCC1CN(CC2CCOCC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C32H53N5O2/c1-5-6-7-28-23-35(22-27-8-20-39-21-9-27)15-12-32(28)13-18-37(19-14-32)31(4)10-16-36(17-11-31)30(38)29-25(2)33-24-34-26(29)3/h24,27-28H,5-23H2,1-4H3 GJIANMVZCSNYHP-UHFFFAOYSA-N 50254674 (4-(7-butyl-9-((tetrahydro-2H-pyran-4-yl)methyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL473651 C-C chemokine receptor type 5 >500 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254674&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230969 104106846 CHEMBL473651 ZINC40913531 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440376 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1ccccc1 InChI=1S/C32H47N5O3S/c1-5-6-10-27-23-37(41(39,40)28-11-8-7-9-12-28)22-17-32(27)15-20-36(21-16-32)31(4)13-18-35(19-14-31)30(38)29-25(2)33-24-34-26(29)3/h7-9,11-12,24,27H,5-6,10,13-23H2,1-4H3 JWEYWQITSUWJQD-UHFFFAOYSA-N 50254675 (4-(7-butyl-9-(phenylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL448610 C-C chemokine receptor type 5 19 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254675&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230771 104106847 CHEMBL448610 ZINC44352131 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440377 CCCC[C@H]1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(=O)NC InChI=1S/C28H46N6O2/c1-6-7-8-23-19-33(26(36)29-5)16-11-28(23)12-17-34(18-13-28)27(4)9-14-32(15-10-27)25(35)24-21(2)30-20-31-22(24)3/h20,23H,6-19H2,1-5H3,(H,29,36)/t23-/m0/s1 QVVYORMQDXUEAH-QHCPKHFHSA-N 50254676 (R)-1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-N-methyl-3,9-diazaspiro[5.5]undecane-3-carboxamide::CHEMBL519278 C-C chemokine receptor type 5 35 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254676&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44570177 104106848 CHEMBL519278 ZINC40934546 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440378 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1ccccn1 InChI=1S/C31H46N6O3S/c1-5-6-9-26-22-37(41(39,40)27-10-7-8-16-32-27)21-15-31(26)13-19-36(20-14-31)30(4)11-17-35(18-12-30)29(38)28-24(2)33-23-34-25(28)3/h7-8,10,16,23,26H,5-6,9,11-15,17-22H2,1-4H3 QVRQWLWUNXYUTA-UHFFFAOYSA-N 50254677 (4-(7-butyl-9-(pyridin-2-ylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL444255 C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254677&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230826 104106849 CHEMBL444255 ZINC44307120 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440379 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(C)(=O)=O InChI=1S/C27H45N5O3S/c1-6-7-8-23-19-32(36(5,34)35)18-13-27(23)11-16-31(17-12-27)26(4)9-14-30(15-10-26)25(33)24-21(2)28-20-29-22(24)3/h20,23H,6-19H2,1-5H3 PPDOJLDYDRQHCV-UHFFFAOYSA-N 50254715 (4-(7-butyl-9-(methylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL479627 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254715&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230829 104106883 CHEMBL479627 ZINC40935952 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440380 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CC1 InChI=1S/C29H47N5O3S/c1-5-6-7-24-20-34(38(36,37)25-8-9-25)19-14-29(24)12-17-33(18-13-29)28(4)10-15-32(16-11-28)27(35)26-22(2)30-21-31-23(26)3/h21,24-25H,5-20H2,1-4H3 FNMLINCQMYDDSF-UHFFFAOYSA-N 50254716 (4-(7-butyl-9-(cyclopropylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL481980 C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254716&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230827 104106884 CHEMBL481980 ZINC40935552 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440381 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)N(C)C InChI=1S/C28H48N6O3S/c1-7-8-9-24-20-34(38(36,37)31(5)6)19-14-28(24)12-17-33(18-13-28)27(4)10-15-32(16-11-27)26(35)25-22(2)29-21-30-23(25)3/h21,24H,7-20H2,1-6H3 KROHKDCCNSPEJN-UHFFFAOYSA-N 50254717 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-N,N-dimethyl-3,9-diazaspiro[5.5]undecane-3-sulfonamide::CHEMBL519298 C-C chemokine receptor type 5 60 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254717&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230897 104106885 CHEMBL519298 ZINC42888204 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440382 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCOCC1 InChI=1S/C31H51N5O4S/c1-5-6-7-26-22-36(41(38,39)27-8-20-40-21-9-27)19-14-31(26)12-17-35(18-13-31)30(4)10-15-34(16-11-30)29(37)28-24(2)32-23-33-25(28)3/h23,26-27H,5-22H2,1-4H3 TWOVADZUAGKLBH-UHFFFAOYSA-N 50254718 (4-(7-butyl-9-(tetrahydro-2H-pyran-4-ylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL454253 C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254718&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230898 104106886 CHEMBL454253 ZINC44352483 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440383 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1cn(C)cn1 InChI=1S/C30H47N7O3S/c1-6-7-8-25-19-37(41(39,40)26-20-34(5)22-33-26)18-13-30(25)11-16-36(17-12-30)29(4)9-14-35(15-10-29)28(38)27-23(2)31-21-32-24(27)3/h20-22,25H,6-19H2,1-5H3 RNRDLRIAZBSTGX-UHFFFAOYSA-N 50254719 (4-(7-butyl-9-(1-methyl-1H-imidazol-4-ylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL450639 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254719&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230899 104106887 CHEMBL450639 ZINC44307897 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440384 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)N1CCOCC1 InChI=1S/C30H50N6O4S/c1-5-6-7-26-22-36(41(38,39)35-18-20-40-21-19-35)17-12-30(26)10-15-34(16-11-30)29(4)8-13-33(14-9-29)28(37)27-24(2)31-23-32-25(27)3/h23,26H,5-22H2,1-4H3 JOHAOFQOOIYPEX-UHFFFAOYSA-N 50254720 (4-(7-butyl-9-(morpholinosulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL502927 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254720&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230970 104106888 CHEMBL502927 ZINC42808591 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440385 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCN(CC1)C(C)=O InChI=1S/C33H54N6O4S/c1-6-7-8-28-23-39(44(42,43)29-9-16-36(17-10-29)27(4)40)22-15-33(28)13-20-38(21-14-33)32(5)11-18-37(19-12-32)31(41)30-25(2)34-24-35-26(30)3/h24,28-29H,6-23H2,1-5H3 XRZWBTRQFZHJKL-UHFFFAOYSA-N 50254721 1-(4-(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-3-ylsulfonyl)piperidin-1-yl)ethanone::CHEMBL454493 C-C chemokine receptor type 5 78 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254721&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25231105 104106889 CHEMBL454493 ZINC44360091 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440386 CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCN(CC1)C=O InChI=1S/C32H52N6O4S/c1-5-6-7-27-22-38(43(41,42)28-8-15-35(24-39)16-9-28)21-14-32(27)12-19-37(20-13-32)31(4)10-17-36(18-11-31)30(40)29-25(2)33-23-34-26(29)3/h23-24,27-28H,5-22H2,1-4H3 JXKLDEXOIXKDMM-UHFFFAOYSA-N 50254722 4-(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-3-ylsulfonyl)piperidine-1-carbaldehyde::CHEMBL506958 C-C chemokine receptor type 5 64 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254722&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25231041 104106890 CHEMBL506958 ZINC42834260 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440387 CCCC[C@H]1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)CC(F)(F)F InChI=1S/C28H44F3N5O3S/c1-5-6-7-23-18-36(40(38,39)19-28(29,30)31)17-12-27(23)10-15-35(16-11-27)26(4)8-13-34(14-9-26)25(37)24-21(2)32-20-33-22(24)3/h20,23H,5-19H2,1-4H3/t23-/m0/s1 CKECBSGFSRWSGC-QHCPKHFHSA-N 50254748 (R)-(4-(7-butyl-9-(2,2,2-trifluoroethylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL463874 C-C chemokine receptor type 5 19 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44570267 104106911 CHEMBL463874 ZINC44386735 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440388 CCCCC1C(=O)C(CC2CCOCC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C33H52N4O3/c1-5-6-7-28-30(38)27(22-26-9-20-40-21-10-26)8-11-33(28)14-18-37(19-15-33)32(4)12-16-36(17-13-32)31(39)29-24(2)34-23-35-25(29)3/h23,26-28H,5-22H2,1-4H3 KXOYWYHTSWKVEF-UHFFFAOYSA-N 50254751 7-butyl-3-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-3-azaspiro[5.5]undecan-8-one::CHEMBL464054 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44570269 104106914 CHEMBL464054 ZINC44388399 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440389 CCCCC1C(=O)N(Cc2ccc(F)cc2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C33H46FN5O2/c1-5-6-7-28-30(40)38(22-26-8-10-27(34)11-9-26)19-14-33(28)15-20-39(21-16-33)32(4)12-17-37(18-13-32)31(41)29-24(2)35-23-36-25(29)3/h8-11,23,28H,5-7,12-22H2,1-4H3 FUVFXKANLIQTMS-UHFFFAOYSA-N 50254752 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-(4-fluorobenzyl)-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL451400 C-C chemokine receptor type 5 19 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230773 104106915 CHEMBL451400 ZINC44351317 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440390 CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? QOJYCEFGDGHBCC-PXGVVOSNSA-N 50254750 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-(((1r,4r)-4-ethoxycyclohexyl)methyl)-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL449621 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230828 104106913 CHEMBL449621 ZINC42834646 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440391 CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C34H55N5O3/c1-6-7-8-29-31(40)38(23-27-9-11-28(42-5)12-10-27)20-15-34(29)16-21-39(22-17-34)33(4)13-18-37(19-14-33)32(41)30-25(2)35-24-36-26(30)3/h24,27-29H,6-23H2,1-5H3/t27-,28-,29? UGULRHJHLTXYFV-WKZPZDPQSA-N 50254749 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-(((1r,4r)-4-methoxycyclohexyl)methyl)-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL502432 C-C chemokine receptor type 5 37 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44570268 104106912 CHEMBL502432 ZINC42804235 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440392 CCCCC1C(=O)N(C[C@H]2CC[C@H](O)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C33H53N5O3/c1-5-6-7-28-30(40)37(22-26-8-10-27(39)11-9-26)19-14-33(28)15-20-38(21-16-33)32(4)12-17-36(18-13-32)31(41)29-24(2)34-23-35-25(29)3/h23,26-28,39H,5-22H2,1-4H3/t26-,27-,28? KTKKRFORUGBGOO-PBFSLTDZSA-N 50254753 1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-(((1r,4r)-4-hydroxycyclohexyl)methyl)-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL444667 C-C chemokine receptor type 5 76 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254753&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44570270 104106916 CHEMBL444667 ZINC44281376 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440393 CCCCC1C(=O)N(CC2CCN(CC2)C(=O)OC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C34H54N6O4/c1-6-7-8-28-30(41)39(23-27-9-16-38(17-10-27)32(43)44-5)20-13-34(28)14-21-40(22-15-34)33(4)11-18-37(19-12-33)31(42)29-25(2)35-24-36-26(29)3/h24,27-28H,6-23H2,1-5H3 HAUTZEUMSRMIPW-UHFFFAOYSA-N 50254754 CHEMBL501383::methyl 4-((1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-2-oxo-3,9-diazaspiro[5.5]undecan-3-yl)methyl)piperidine-1-carboxylate C-C chemokine receptor type 5 60 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25206204 104106917 CHEMBL501383 ZINC42806289 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440394 CCCCC1C(=O)N(CC2CCN(CC(F)F)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C34H54F2N6O2/c1-5-6-7-28-31(43)41(22-27-8-15-39(16-9-27)23-29(35)36)19-12-34(28)13-20-42(21-14-34)33(4)10-17-40(18-11-33)32(44)30-25(2)37-24-38-26(30)3/h24,27-29H,5-23H2,1-4H3 KRUJQWXOSLKLBD-UHFFFAOYSA-N 50254755 1-butyl-3-((1-(2,2-difluoroethyl)piperidin-4-yl)methyl)-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL447808 C-C chemokine receptor type 5 70 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25231038 104106918 CHEMBL447808 ZINC44281666 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440395 CCCCC1C(=O)N(CC2CCN(O)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N InChI=1S/C34H52N6O3/c1-5-6-7-29-31(41)38(24-27-8-15-40(43)16-9-27)19-12-34(29)13-20-39(21-14-34)33(4)10-17-37(18-11-33)32(42)30-25(2)22-28(23-35)36-26(30)3/h22,27,29,43H,5-21,24H2,1-4H3 BBQBLHVVDOPKJW-UHFFFAOYSA-N 50254756 5-(4-(7-butyl-9-((1-hydroxypiperidin-4-yl)methyl)-8-oxo-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidine-1-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL501941 C-C chemokine receptor type 5 31 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44570271 104106919 CHEMBL501941 ZINC42804519 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440396 CCCOC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CC1 InChI=1S/C28H45N5O4S/c1-5-18-37-24-19-33(38(35,36)23-6-7-23)17-12-28(24)10-15-32(16-11-28)27(4)8-13-31(14-9-27)26(34)25-21(2)29-20-30-22(25)3/h20,23-24H,5-19H2,1-4H3 VAHQCHZRDLBPIQ-UHFFFAOYSA-N 50254757 (4-(9-(cyclopropylsulfonyl)-7-propoxy-3,9-diazaspiro[5.5]undecan-3-yl)-4-methylpiperidin-1-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL464055 C-C chemokine receptor type 5 80 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25230971 104106920 CHEMBL464055 ZINC44388405 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50440397 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC2(CC1)CCN(CC2c1ccccc1)S(C)(=O)=O InChI=1S/C29H41N5O3S/c1-22-26(23(2)31-21-30-22)27(35)32-15-10-28(3,11-16-32)33-17-12-29(13-18-33)14-19-34(38(4,36)37)20-25(29)24-8-6-5-7-9-24/h5-9,21,25H,10-20H2,1-4H3 MEQWCAXCDAYHEV-UHFFFAOYSA-N 50254787 (4,6-dimethylpyrimidin-5-yl)(4-methyl-4-(9-(methylsulfonyl)-7-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)piperidin-1-yl)methanone::CHEMBL465106 C-C chemokine receptor type 5 104 ChEMBL 10.1016/j.bmcl.2008.10.115 10.7270/Q2FQ9WGB 19014885 Yang, H; Lin, XF; Padilla, F; Gabriel, SD; Heilek, G; Ji, C; Sankuratri, S; deRosier, A; Berry, P; Rotstein, DM Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254787&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44570307 104106937 CHEMBL465106 ZINC40875100 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448197 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1 JMJZSLIIHVSDBK-AREMUKBSSA-N 50276260 (R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)pyrrolidin-3-yl)cyclopropanecarboxamide::CHEMBL471623 C-C chemokine receptor type 5 8 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276260&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23650547 104119483 CHEMBL471623 ZINC40895086 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448200 CN(C1CN(C1)C(c1ccccc1)c1ccccc1)C1CCN(CC1)C(=O)c1c(C)ccnc1C InChI=1S/C30H36N4O/c1-22-14-17-31-23(2)28(22)30(35)33-18-15-26(16-19-33)32(3)27-20-34(21-27)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,17,26-27,29H,15-16,18-21H2,1-3H3 GLTOZZZHJGDTFD-UHFFFAOYSA-N 50276623 (4-((1-benzhydrylazetidin-3-yl)(methyl)amino)piperidin-1-yl)(2,4-dimethylpyridin-3-yl)methanone::CHEMBL517893 C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276623&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590704 104119706 CHEMBL517893 ZINC40392459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448201 Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1 InChI=1S/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)35-21-28-13-14-29(22-35)36(28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3 WRSUHJNBESROTA-UHFFFAOYSA-N 50276671 (4-(8-benzhydryl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl)(2,4-dimethylpyridin-3-yl)methanone::CHEMBL458351 C-C chemokine receptor type 5 313 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276671&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590738 104119728 CHEMBL458351 ZINC40864227 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448202 Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1C2CCC1CN(C2)C(c1ccccc1)c1ccccc1 InChI=1S/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)36-28-13-14-29(36)22-35(21-28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3 WPATYPNXFWWASD-UHFFFAOYSA-N 50276672 (4-(3-benzhydryl-3,8-diazabicyclo[3.2.1]octan-8-yl)piperidin-1-yl)(2,4-dimethylpyridin-3-yl)methanone::CHEMBL514749 C-C chemokine receptor type 5 41 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276672&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590739 104119729 CHEMBL514749 ZINC40864229 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448203 CN(C1CN(C1)C(=O)c1c(C)ccnc1C)C1CCN(CC1)C(c1ccccc1)c1ccccc1 InChI=1S/C30H36N4O/c1-22-14-17-31-23(2)28(22)30(35)34-20-27(21-34)32(3)26-15-18-33(19-16-26)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,17,26-27,29H,15-16,18-21H2,1-3H3 TWQVTWWWNUSFSY-UHFFFAOYSA-N 50276792 (3-((1-benzhydrylpiperidin-4-yl)(methyl)amino)azetidin-1-yl)(2,4-dimethylpyridin-3-yl)methanone::CHEMBL459985 C-C chemokine receptor type 5 102 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276792&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590849 104119790 CHEMBL459985 ZINC40862144 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448204 Cc1ccnc(C)c1C(=O)NCCN1CCCC(CC(c2ccccc2)c2ccccc2)C1 InChI=1S/C29H35N3O/c1-22-15-16-30-23(2)28(22)29(33)31-17-19-32-18-9-10-24(21-32)20-27(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-16,24,27H,9-10,17-21H2,1-2H3,(H,31,33) DLNFWGCPPFODIC-UHFFFAOYSA-N 50276793 CHEMBL459986::rac-N-(2-(3-(2,2-diphenylethyl)piperidin-1-yl)ethyl)-2,4-dimethylnicotinamide C-C chemokine receptor type 5 56 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276793&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590850 104119791 CHEMBL459986 ZINC40862148 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448205 CC(=O)NC(C1CN(C1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccccc1 InChI=1S/C26H33N3O2/c1-18-8-7-9-19(2)24(18)26(31)28-14-12-23(13-15-28)29-16-22(17-29)25(27-20(3)30)21-10-5-4-6-11-21/h4-11,22-23,25H,12-17H2,1-3H3,(H,27,30) CMZXSEAOIFLVLB-UHFFFAOYSA-N 50276078 CHEMBL471844::N-((1-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)azetidin-3-yl)(phenyl)methyl)acetamide C-C chemokine receptor type 5 2490 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276078&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590222 104119395 CHEMBL471844 ZINC40894731 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448206 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CNC(=O)C2CC2)(Cc2ccccc2)CC1 InChI=1S/C31H41N3O2/c1-23-7-6-8-24(2)28(23)30(36)34-17-13-27(14-18-34)33-19-15-31(16-20-33,21-25-9-4-3-5-10-25)22-32-29(35)26-11-12-26/h3-10,26-27H,11-22H2,1-2H3,(H,32,35) JVLHJCASAXPVIS-UHFFFAOYSA-N 50276217 CHEMBL471403::N-((4-benzyl-1'-(2,6-dimethylbenzoyl)-1,4'-bipiperidin-4-yl)methyl)cyclopropanecarboxamide C-C chemokine receptor type 5 145 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276217&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590332 104119458 CHEMBL471403 ZINC40895462 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448207 Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 InChI=1S/C31H39N3O2/c1-21-7-6-8-22(2)29(21)31(36)34-25-13-14-26(34)18-28(17-25)32-16-15-27(20-32)33(30(35)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-28H,11-20H2,1-2H3/t25-,26+,27-,28-/m1/s1 HLJVPZZJNNJNAJ-JUDWXZBOSA-N 50276259 CHEMBL481068::exo-N-benzyl-N-((R)-1-(8-(2,6-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl)pyrrolidin-3-yl)cyclopropanecarboxamide C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276259&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590394 104119482 CHEMBL481068 ZINC40414228 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448208 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1 JMJZSLIIHVSDBK-AREMUKBSSA-N 50276260 (R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)pyrrolidin-3-yl)cyclopropanecarboxamide::CHEMBL471623 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276260&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23650547 104119483 CHEMBL471623 ZINC40895086 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448209 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@@H](C1)N(Cc1ccccc1)C(=O)C1CC1 InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m0/s1 JMJZSLIIHVSDBK-SANMLTNESA-N 50276261 (S)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)pyrrolidin-3-yl)cyclopropanecarboxamide::CHEMBL470578 C-C chemokine receptor type 5 1230 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276261&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590395 104119484 CHEMBL470578 ZINC40895845 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448210 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CCC1 InChI=1S/C31H41N3O2/c1-23-8-6-9-24(2)29(23)31(36)33-20-14-27(15-21-33)32-18-16-28(17-19-32)34(30(35)26-12-7-13-26)22-25-10-4-3-5-11-25/h3-6,8-11,26-28H,7,12-22H2,1-2H3 UXSBXUFFROKBKD-UHFFFAOYSA-N 50276290 CHEMBL472260::N-benzyl-N-(1'-(2,6-dimethylbenzoyl)-1,4'-bipiperidin-4-yl)cyclobutanecarboxamide C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276290&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590439 104119494 CHEMBL472260 ZINC40898300 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448211 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CC1 InChI=1S/C31H41N3O2/c1-23-8-7-9-24(2)28(23)30(36)32-20-16-31(3,17-21-32)33-18-14-27(15-19-33)34(29(35)26-12-13-26)22-25-10-5-4-6-11-25/h4-11,26-27H,12-22H2,1-3H3 PGPNVHBTNHPQAH-UHFFFAOYSA-N 50276291 CHEMBL472464::N-benzyl-N-(1'-(2,6-dimethylbenzoyl)-4'-methyl-1,4'-bipiperidin-4-yl)cyclopropanecarboxamide C-C chemokine receptor type 5 0.5 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276291&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590440 104119495 CHEMBL472464 ZINC40407047 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50448212 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC(C1)N(Cc1ccccc1)C(=O)C1CC1 InChI=1S/C28H35N3O2/c1-20-7-6-8-21(2)26(20)28(33)29-15-13-24(14-16-29)30-18-25(19-30)31(27(32)23-11-12-23)17-22-9-4-3-5-10-22/h3-10,23-25H,11-19H2,1-2H3 BHFXEBKFOZSPDF-UHFFFAOYSA-N 50276292 CHEMBL471218::N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)azetidin-3-yl)cyclopropanecarboxamide C-C chemokine receptor type 5 5800 ChEMBL 10.1016/j.bmcl.2009.01.012 10.7270/Q2W095SG 19167884 Pryde, DC; Corless, M; Fenwick, DR; Mason, HJ; Stammen, BC; Stephenson, PT; Ellis, D; Bachelor, D; Gordon, D; Barber, CG; Wood, A; Middleton, DS; Blakemore, DC; Parsons, GC; Eastwood, R; Platts, MY; Statham, K; Paradowski, KA; Burt, C; Klute, W Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276292&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590441 104119496 CHEMBL471218 ZINC40892385 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450912 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1 InChI=1S/C35H47N5O/c1-26-36-32-14-8-9-15-33(32)40(26)31-24-29-16-17-30(25-31)39(29)23-20-35(27-10-4-2-5-11-27)18-21-38(22-19-35)34(41)37-28-12-6-3-7-13-28/h2,4-5,8-11,14-15,28-31H,3,6-7,12-13,16-25H2,1H3,(H,37,41)/t29-,30+,31+ VJGAZDSJPMZIDL-YHTXFFTCSA-N 50257644 CHEMBL471149::N-cyclohexyl-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carboxamide C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257644&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573256 104108652 CHEMBL471149 ZINC44418237 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450913 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1 InChI=1S/C36H40F3N5O/c1-25-40-32-9-5-6-10-33(32)44(25)31-23-29-15-16-30(24-31)43(29)22-19-35(26-7-3-2-4-8-26)17-20-42(21-18-35)34(45)41-28-13-11-27(12-14-28)36(37,38)39/h2-14,29-31H,15-24H2,1H3,(H,41,45)/t29-,30+,31+ OKYWCZZUCLHFSJ-YHTXFFTCSA-N 50257645 4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenyl-N-(4-(trifluoromethyl)phenyl)piperidine-1-carboxamide::CHEMBL505908 C-C chemokine receptor type 5 265 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257645&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44532866 104108653 CHEMBL505908 ZINC42833841 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450914 CN(C)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C31H41N5O/c1-23-32-28-11-7-8-12-29(28)36(23)27-21-25-13-14-26(22-27)35(25)20-17-31(24-9-5-4-6-10-24)15-18-34(19-16-31)30(37)33(2)3/h4-12,25-27H,13-22H2,1-3H3/t25-,26+,27+ ORYHKPOXGDELRN-UQWUFBTJSA-N 50257687 CHEMBL492544::N,N-dimethyl-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carboxamide C-C chemokine receptor type 5 21 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257687&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573297 104108681 CHEMBL492544 ZINC45498617 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450915 CCN(CC)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C33H45N5O/c1-4-35(5-2)32(39)36-20-17-33(18-21-36,26-11-7-6-8-12-26)19-22-37-27-15-16-28(37)24-29(23-27)38-25(3)34-30-13-9-10-14-31(30)38/h6-14,27-29H,4-5,15-24H2,1-3H3/t27-,28+,29+ BSIFCMAWFLQILY-WLNZHLEZSA-N 50257688 CHEMBL509179::N,N-diethyl-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carboxamide C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257688&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573298 104108682 CHEMBL509179 ZINC42834292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450916 CC(C)N(C(C)C)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C35H49N5O/c1-25(2)39(26(3)4)34(41)37-20-17-35(18-21-37,28-11-7-6-8-12-28)19-22-38-29-15-16-30(38)24-31(23-29)40-27(5)36-32-13-9-10-14-33(32)40/h6-14,25-26,29-31H,15-24H2,1-5H3/t29-,30+,31+ ODTAMWROBLPBMJ-YHTXFFTCSA-N 50257689 CHEMBL506788::N,N-diisopropyl-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carboxamide C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257689&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573299 104108683 CHEMBL506788 ZINC42835510 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450917 CO\C(=N\C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C31H38N6O/c1-23-34-28-10-6-7-11-29(28)37(23)27-20-25-12-13-26(21-27)36(25)19-16-31(24-8-4-3-5-9-24)14-17-35(18-15-31)30(38-2)33-22-32/h3-11,25-27H,12-21H2,1-2H3/b33-30+/t25-,26+,27+ BIPSHORDJPUBNF-BBNFOJLBSA-N 50257690 (E)-methyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carbimidate::CHEMBL524001 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257690&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25256856 104108684 CHEMBL524001 ZINC40949449 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450918 CC(C)O\C(=N\C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C33H42N6O/c1-24(2)40-32(35-23-34)37-18-15-33(16-19-37,26-9-5-4-6-10-26)17-20-38-27-13-14-28(38)22-29(21-27)39-25(3)36-30-11-7-8-12-31(30)39/h4-12,24,27-29H,13-22H2,1-3H3/b35-32+/t27-,28+,29+ FXCPTCYLGOZZPT-JBWQAJIJSA-N 50257691 (E)-isopropyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carbimidate::CHEMBL509665 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257691&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10030170 104108685 CHEMBL509665 ZINC42850834 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450919 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(\OC1CCCC1)=N/C#N)c1ccccc1 InChI=1S/C35H44N6O/c1-26-38-32-13-7-8-14-33(32)41(26)30-23-28-15-16-29(24-30)40(28)22-19-35(27-9-3-2-4-10-27)17-20-39(21-18-35)34(37-25-36)42-31-11-5-6-12-31/h2-4,7-10,13-14,28-31H,5-6,11-12,15-24H2,1H3/b37-34+/t28-,29+,30+ ZHJLSBUOHPRAQK-ZSRZAKKGSA-N 50257692 (E)-cyclopentyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carbimidate::CHEMBL506795 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257692&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10325578 104108686 CHEMBL506795 ZINC42833761 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450920 CS\C(=N\C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C31H38N6S/c1-23-34-28-10-6-7-11-29(28)37(23)27-20-25-12-13-26(21-27)36(25)19-16-31(24-8-4-3-5-9-24)14-17-35(18-15-31)30(38-2)33-22-32/h3-11,25-27H,12-21H2,1-2H3/b33-30+/t25-,26+,27+ PCKFHDSMTDRGJM-BBNFOJLBSA-N 50257693 (E)-methyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carbimidothioate::CHEMBL523512 C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257693&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573300 104108687 CHEMBL523512 ZINC40972485 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450921 CC(C)S\C(=N\C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C33H42N6S/c1-24(2)40-32(35-23-34)37-18-15-33(16-19-37,26-9-5-4-6-10-26)17-20-38-27-13-14-28(38)22-29(21-27)39-25(3)36-30-11-7-8-12-31(30)39/h4-12,24,27-29H,13-22H2,1-3H3/b35-32+/t27-,28+,29+ ZGJVAXUVAGKDTA-JBWQAJIJSA-N 50257694 (E)-isopropyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carbimidothioate::CHEMBL443730 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257694&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573301 104108688 CHEMBL443730 ZINC44280611 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450922 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(\SC1CCCC1)=N/C#N)c1ccccc1 InChI=1S/C35H44N6S/c1-26-38-32-13-7-8-14-33(32)41(26)30-23-28-15-16-29(24-30)40(28)22-19-35(27-9-3-2-4-10-27)17-20-39(21-18-35)34(37-25-36)42-31-11-5-6-12-31/h2-4,7-10,13-14,28-31H,5-6,11-12,15-24H2,1H3/b37-34+/t28-,29+,30+ KJMDUSOKYYLMSD-ZSRZAKKGSA-N 50257695 (E)-cyclopentyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carbimidothioate::CHEMBL502909 C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257695&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573302 104108689 CHEMBL502909 ZINC42807530 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450923 CNC(=NC#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C31H39N7/c1-23-35-28-10-6-7-11-29(28)38(23)27-20-25-12-13-26(21-27)37(25)19-16-31(24-8-4-3-5-9-24)14-17-36(18-15-31)30(33-2)34-22-32/h3-11,25-27H,12-21H2,1-2H3,(H,33,34)/t25-,26+,27+ ATINLGULZVKYSO-UQWUFBTJSA-N 50257727 (Z)-N'-cyano-N-methyl-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carboximidamide::CHEMBL492960 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257727&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573335 104108707 CHEMBL492960 ZINC40957811 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450924 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=N/C#N)\N1CCOCC1)c1ccccc1 InChI=1S/C34H43N7O/c1-26-37-31-9-5-6-10-32(31)41(26)30-23-28-11-12-29(24-30)40(28)18-15-34(27-7-3-2-4-8-27)13-16-38(17-14-34)33(36-25-35)39-19-21-42-22-20-39/h2-10,28-30H,11-24H2,1H3/b36-33+/t28-,29+,30+ NQXSIRJUWDUUDB-JRLSCVPWSA-N 50257728 (E)-N-((4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)(morpholino)methylene)cyanamide::CHEMBL508250 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257728&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573336 104108708 CHEMBL508250 ZINC42834775 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450925 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccccc1)c1ccccc1 InChI=1S/C36H42N4O2/c1-26-37-32-14-8-9-15-33(32)40(26)31-24-29-16-17-30(25-31)39(29)23-20-36(28-12-6-3-7-13-28)18-21-38(22-19-36)34(35(41)42)27-10-4-2-5-11-27/h2-15,29-31,34H,16-25H2,1H3,(H,41,42)/t29-,30+,31+,34? UHFCAQNLJVXUIU-WMDUMRETSA-N 50257729 2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)-2-phenylacetic acid::CHEMBL443936 C-C chemokine receptor type 5 8 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257729&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25256857 104108709 CHEMBL443936 ZINC44306256 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450926 COc1ccc(cc1)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)C(O)=O InChI=1S/C37H44N4O3/c1-26-38-33-10-6-7-11-34(33)41(26)31-24-29-14-15-30(25-31)40(29)23-20-37(28-8-4-3-5-9-28)18-21-39(22-19-37)35(36(42)43)27-12-16-32(44-2)17-13-27/h3-13,16-17,29-31,35H,14-15,18-25H2,1-2H3,(H,42,43)/t29-,30+,31+,35? PQQXVQHDJSFGPZ-XHMUIODYSA-N 50257730 2-(4-methoxyphenyl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetic acid::CHEMBL499109 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257730&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573337 104108710 CHEMBL499109 ZINC49889395 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450927 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccc(F)cc1)c1cccc(F)c1 InChI=1S/C36H40F2N4O2/c1-24-39-32-7-2-3-8-33(32)42(24)31-22-29-13-14-30(23-31)41(29)20-17-36(26-5-4-6-28(38)21-26)15-18-40(19-16-36)34(35(43)44)25-9-11-27(37)12-10-25/h2-12,21,29-31,34H,13-20,22-23H2,1H3,(H,43,44)/t29-,30+,31+,34? HTVPBKMQDVVVRD-WMDUMRETSA-N 50257731 2-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)piperidin-1-yl)acetic acid::CHEMBL505443 C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257731&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573338 104108711 CHEMBL505443 ZINC42835603 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450928 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccc2OCOc2c1)c1ccccc1 InChI=1S/C37H42N4O4/c1-25-38-31-9-5-6-10-32(31)41(25)30-22-28-12-13-29(23-30)40(28)20-17-37(27-7-3-2-4-8-27)15-18-39(19-16-37)35(36(42)43)26-11-14-33-34(21-26)45-24-44-33/h2-11,14,21,28-30,35H,12-13,15-20,22-24H2,1H3,(H,42,43)/t28-,29+,30+,35? QOMFGNPECFGGMF-OLZRBHHCSA-N 50257732 2-(benzo[d][1,3]dioxol-5-yl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetic acid::CHEMBL443106 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257732&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10461319 104108712 CHEMBL443106 ZINC44280845 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450929 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1c(C)cccc1C)c1ccccc1 InChI=1S/C38H46N4O2/c1-26-10-9-11-27(2)35(26)36(37(43)44)40-21-18-38(19-22-40,29-12-5-4-6-13-29)20-23-41-30-16-17-31(41)25-32(24-30)42-28(3)39-33-14-7-8-15-34(33)42/h4-15,30-32,36H,16-25H2,1-3H3,(H,43,44)/t30-,31+,32+,36? PJUZFIMJBIWYQW-QETJBZMDSA-N 50257733 2-(2,6-dimethylphenyl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetic acid::CHEMBL442619 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10348408 104108713 CHEMBL442619 ZINC44280499 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450933 COC(=O)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)c1cccc(C)c1C InChI=1S/C39H48N4O2/c1-27-11-10-14-34(28(27)2)37(38(44)45-4)41-22-19-39(20-23-41,30-12-6-5-7-13-30)21-24-42-31-17-18-32(42)26-33(25-31)43-29(3)40-35-15-8-9-16-36(35)43/h5-16,31-33,37H,17-26H2,1-4H3/t31-,32+,33+,37? FJROMRAVXXGMPG-ZCJGYHHRSA-N 50257738 CHEMBL500824::methyl 2-(2,3-dimethylphenyl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetate C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573341 104108718 CHEMBL500824 ZINC42807016 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450934 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)c1ncccn1)c1ccccc1 InChI=1S/C32H38N6/c1-24-35-29-10-5-6-11-30(29)38(24)28-22-26-12-13-27(23-28)37(26)21-16-32(25-8-3-2-4-9-25)14-19-36(20-15-32)31-33-17-7-18-34-31/h2-11,17-18,26-28H,12-16,19-23H2,1H3/t26-,27+,28+ DTXCHAZBXSLREA-KUMHGWDASA-N 50257489 2-methyl-1-(8-(2-(4-phenyl-1-(pyrimidin-2-yl)piperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzo[d]imidazole::CHEMBL522669 C-C chemokine receptor type 5 320 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257489&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573097 104108548 CHEMBL522669 ZINC40953169 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450935 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)c1nnn[nH]1)c1ccccc1 InChI=1S/C29H36N8/c1-21-30-26-9-5-6-10-27(26)37(21)25-19-23-11-12-24(20-25)36(23)18-15-29(22-7-3-2-4-8-22)13-16-35(17-14-29)28-31-33-34-32-28/h2-10,23-25H,11-20H2,1H3,(H,31,32,33,34)/t23-,24+,25+ JQOORFUSHXGUAK-LNWKWYTESA-N 50257490 2-methyl-1-(8-(2-(4-phenyl-1-(1H-tetrazol-5-yl)piperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzo[d]imidazole::CHEMBL493312 C-C chemokine receptor type 5 129 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257490&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573098 104108549 CHEMBL493312 ZINC40953171 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450936 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(Cc2ncc[nH]2)CC1)c1ccccc1 InChI=1S/C32H40N6/c1-24-35-29-9-5-6-10-30(29)38(24)28-21-26-11-12-27(22-28)37(26)20-15-32(25-7-3-2-4-8-25)13-18-36(19-14-32)23-31-33-16-17-34-31/h2-10,16-17,26-28H,11-15,18-23H2,1H3,(H,33,34)/t26-,27+,28+ IOYLAJJIHILCGL-KUMHGWDASA-N 50257537 1-(8-(2-(1-((1H-imidazol-2-yl)methyl)-4-phenylpiperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-benzo[d]imidazole::CHEMBL492503 C-C chemokine receptor type 5 74 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257537&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573127 104108578 CHEMBL492503 ZINC40950226 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450937 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(Cc2ncco2)CC1)c1ccccc1 InChI=1S/C32H39N5O/c1-24-34-29-9-5-6-10-30(29)37(24)28-21-26-11-12-27(22-28)36(26)19-15-32(25-7-3-2-4-8-25)13-17-35(18-14-32)23-31-33-16-20-38-31/h2-10,16,20,26-28H,11-15,17-19,21-23H2,1H3/t26-,27+,28+ GNTGLDHNPBBPGV-KUMHGWDASA-N 50257640 2-((4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)methyl)oxazole::CHEMBL522659 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257640&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573252 104108648 CHEMBL522659 ZINC40422702 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450938 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(Cc2ccco2)CC1)c1ccccc1 InChI=1S/C33H40N4O/c1-25-34-31-11-5-6-12-32(31)37(25)29-22-27-13-14-28(23-29)36(27)20-17-33(26-8-3-2-4-9-26)15-18-35(19-16-33)24-30-10-7-21-38-30/h2-12,21,27-29H,13-20,22-24H2,1H3/t27-,28+,29+ XPNIFODGUNFQET-WLNZHLEZSA-N 50257641 1-(8-(2-(1-(furan-2-ylmethyl)-4-phenylpiperidin-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-benzo[d]imidazole::CHEMBL492728 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257641&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573253 104108649 CHEMBL492728 ZINC40950868 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450939 CC(C)NC(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C32H43N5O/c1-23(2)33-31(38)35-18-15-32(16-19-35,25-9-5-4-6-10-25)17-20-36-26-13-14-27(36)22-28(21-26)37-24(3)34-29-11-7-8-12-30(29)37/h4-12,23,26-28H,13-22H2,1-3H3,(H,33,38)/t26-,27+,28+ DPTAFEGODXQGLH-KUMHGWDASA-N 50257642 CHEMBL524050::N-isopropyl-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carboxamide C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257642&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573254 104108650 CHEMBL524050 ZINC40430959 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450940 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)NC(C)(C)C)c1ccccc1 InChI=1S/C33H45N5O/c1-24-34-29-12-8-9-13-30(29)38(24)28-22-26-14-15-27(23-28)37(26)21-18-33(25-10-6-5-7-11-25)16-19-36(20-17-33)31(39)35-32(2,3)4/h5-13,26-28H,14-23H2,1-4H3,(H,35,39)/t26-,27+,28+ UGRIWINFSBETFP-KUMHGWDASA-N 50257643 CHEMBL445003::N-tert-butyl-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carboxamide C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257643&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573255 104108651 CHEMBL445003 ZINC44305477 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450941 COC(=O)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)c1ccccc1 InChI=1S/C37H44N4O2/c1-27-38-33-15-9-10-16-34(33)41(27)32-25-30-17-18-31(26-32)40(30)24-21-37(29-13-7-4-8-14-29)19-22-39(23-20-37)35(36(42)43-2)28-11-5-3-6-12-28/h3-16,30-32,35H,17-26H2,1-2H3/t30-,31+,32+,35? DOKCTIDKDIKECV-REZRWBRJSA-N 50257736 CHEMBL506273::methyl 2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)-2-phenylacetate C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573340 104108716 CHEMBL506273 ZINC42835645 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450954 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.4 ChEMBL 10.1016/j.bmcl.2008.12.050 10.7270/Q2GH9HVZ 19237282 Kothandaraman, S; Donnely, KL; Butora, G; Jiao, R; Pasternak, A; Morriello, GJ; Goble, SD; Zhou, C; Mills, SG; Maccoss, M; Vicario, PP; Ayala, JM; Demartino, JA; Struthers, M; Cascieri, MA; Yang, L Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450930 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1cccc(C)c1C)c1ccccc1 InChI=1S/C38H46N4O2/c1-26-10-9-13-33(27(26)2)36(37(43)44)40-21-18-38(19-22-40,29-11-5-4-6-12-29)20-23-41-30-16-17-31(41)25-32(24-30)42-28(3)39-34-14-7-8-15-35(34)42/h4-15,30-32,36H,16-25H2,1-3H3,(H,43,44)/t30-,31+,32+,36? YOJOIMABKIOJRY-QETJBZMDSA-N 50257734 2-(2,3-dimethylphenyl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetic acid::CHEMBL508114 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10438399 104108714 CHEMBL508114 ZINC42834773 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450931 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccc(Cl)s1)c1ccccc1 InChI=1S/C34H39ClN4O2S/c1-23-36-28-9-5-6-10-29(28)39(23)27-21-25-11-12-26(22-27)38(25)20-17-34(24-7-3-2-4-8-24)15-18-37(19-16-34)32(33(40)41)30-13-14-31(35)42-30/h2-10,13-14,25-27,32H,11-12,15-22H2,1H3,(H,40,41)/t25-,26+,27+,32? QBGFOGSWODCRIX-ROYSLGERSA-N 50257735 2-(5-chlorothiophen-2-yl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetic acid::CHEMBL452913 C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44573339 104108715 CHEMBL452913 ZINC44351622 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50450932 COC(=O)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)c1ccc(F)cc1 InChI=1S/C37H43FN4O2/c1-26-39-33-10-6-7-11-34(33)42(26)32-24-30-16-17-31(25-32)41(30)23-20-37(28-8-4-3-5-9-28)18-21-40(22-19-37)35(36(43)44-2)27-12-14-29(38)15-13-27/h3-15,30-32,35H,16-25H2,1-2H3/t30-,31+,32+,35? RRFIHKNSVPKCRY-REZRWBRJSA-N 50257737 CHEMBL444497::methyl 2-(4-fluorophenyl)-2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)acetate C-C chemokine receptor type 5 0.9 ChEMBL 10.1016/j.bmcl.2009.02.014 10.7270/Q2VQ32JR 19233649 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44205000 104108717 CHEMBL444497 ZINC44305711 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50490642 Cc1nc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 InChI=1S/C28H31N3/c1-22-29-27-14-8-9-15-28(27)31(22)25-16-19-30(20-17-25)21-18-26(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25-26H,16-21H2,1H3 XTBMGQICBMRHTA-UHFFFAOYSA-N 50163751 CHEMBL3799799 C-C chemokine receptor type 5 650 ChEMBL 10.1021/acs.jmedchem.5b00497 10.7270/Q2JH3P3H 26509831 Zhan, P; Pannecouque, C; De Clercq, E; Liu, X Shandong University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58282592 341097239 CHEMBL3799799 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547912 CC(=O)N1CCC(CCN2C[C@H]3CN(C[C@H]3C2)C(=O)c2c(C)ncnc2C)(CC1)c1cccc(F)c1 InChI=1S/C28H36FN5O2/c1-19-26(20(2)31-18-30-19)27(36)34-16-22-14-32(15-23(22)17-34)10-7-28(24-5-4-6-25(29)13-24)8-11-33(12-9-28)21(3)35/h4-6,13,18,22-23H,7-12,14-17H2,1-3H3/t22-,23+ YDODCUXZBLTKOR-ZRZAMGCNSA-N 50305775 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)ethanone::CHEMBL604375 C-C chemokine receptor type 5 >500 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305775&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225342 104160136 CHEMBL604375 ZINC45391586 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547913 CC(=O)N1CCC(CCN2C[C@H]3CN(C[C@H]3C2)C(=O)c2c(C)ncnc2C)(CC1)c1cccc(F)c1 InChI=1S/C28H36FN5O2/c1-19-26(20(2)31-18-30-19)27(36)34-16-22-14-32(15-23(22)17-34)10-7-28(24-5-4-6-25(29)13-24)8-11-33(12-9-28)21(3)35/h4-6,13,18,22-23H,7-12,14-17H2,1-3H3/t22-,23+ YDODCUXZBLTKOR-ZRZAMGCNSA-N 50305775 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)ethanone::CHEMBL604375 C-C chemokine receptor type 5 >2500 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305775&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225342 104160136 CHEMBL604375 ZINC45391586 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547914 CC(C)C(=O)N1CCC(CCN2C[C@H]3CN(C[C@H]3C2)C(=O)c2c(C)ncnc2C)(CC1)c1cccc(F)c1 InChI=1S/C30H40FN5O2/c1-20(2)28(37)35-12-9-30(10-13-35,25-6-5-7-26(31)14-25)8-11-34-15-23-17-36(18-24(23)16-34)29(38)27-21(3)32-19-33-22(27)4/h5-7,14,19-20,23-24H,8-13,15-18H2,1-4H3/t23-,24+ XNXHMAJWAVMLJC-PSWAGMNNSA-N 50305776 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)-2-methylpropan-1-one::CHEMBL596299 C-C chemokine receptor type 5 102 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305776&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225343 104160137 CHEMBL596299 ZINC45364216 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547915 CC(C)C(=O)N1CCC(CCN2C[C@H]3CN(C[C@H]3C2)C(=O)c2c(C)ncnc2C)(CC1)c1cccc(F)c1 InChI=1S/C30H40FN5O2/c1-20(2)28(37)35-12-9-30(10-13-35,25-6-5-7-26(31)14-25)8-11-34-15-23-17-36(18-24(23)16-34)29(38)27-21(3)32-19-33-22(27)4/h5-7,14,19-20,23-24H,8-13,15-18H2,1-4H3/t23-,24+ XNXHMAJWAVMLJC-PSWAGMNNSA-N 50305776 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)-2-methylpropan-1-one::CHEMBL596299 C-C chemokine receptor type 5 160 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305776&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225343 104160137 CHEMBL596299 ZINC45364216 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547916 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C31H42FN5O2/c1-21-27(22(2)34-20-33-21)28(38)37-18-23-16-35(17-24(23)19-37)12-9-31(25-7-6-8-26(32)15-25)10-13-36(14-11-31)29(39)30(3,4)5/h6-8,15,20,23-24H,9-14,16-19H2,1-5H3/t23-,24+ MJLBOHSIWRKXDI-PSWAGMNNSA-N 50305777 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)-2,2-dimethylpropan-1-one::CHEMBL595760 C-C chemokine receptor type 5 59 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305777&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225344 104160138 CHEMBL595760 ZINC49761877 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547917 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C31H42FN5O2/c1-21-27(22(2)34-20-33-21)28(38)37-18-23-16-35(17-24(23)19-37)12-9-31(25-7-6-8-26(32)15-25)10-13-36(14-11-31)29(39)30(3,4)5/h6-8,15,20,23-24H,9-14,16-19H2,1-5H3/t23-,24+ MJLBOHSIWRKXDI-PSWAGMNNSA-N 50305777 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)-2,2-dimethylpropan-1-one::CHEMBL595760 C-C chemokine receptor type 5 129 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305777&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225344 104160138 CHEMBL595760 ZINC49761877 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547918 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)CC(C)(C)C)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C32H44FN5O2/c1-22-29(23(2)35-21-34-22)30(40)38-19-24-17-36(18-25(24)20-38)12-9-32(26-7-6-8-27(33)15-26)10-13-37(14-11-32)28(39)16-31(3,4)5/h6-8,15,21,24-25H,9-14,16-20H2,1-5H3/t24-,25+ LLGJMKTVZXNPCI-PLQXJYEYSA-N 50305778 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)-3,3-dimethylbutan-1-one::CHEMBL595559 C-C chemokine receptor type 5 339 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305778&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225345 104160139 CHEMBL595559 ZINC49762271 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547919 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)CO)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C31H42FN5O3/c1-21-27(22(2)34-20-33-21)28(39)37-17-23-15-35(16-24(23)18-37)11-8-31(25-6-5-7-26(32)14-25)9-12-36(13-10-31)29(40)30(3,4)19-38/h5-7,14,20,23-24,38H,8-13,15-19H2,1-4H3/t23-,24+ RLODTORRZLMXLH-PSWAGMNNSA-N 50305779 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)-3-hydroxy-2,2-dimethylpropan-1-one::CHEMBL595570 C-C chemokine receptor type 5 167 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305779&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225346 104160140 CHEMBL595570 ZINC49762391 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547920 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)CO)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C31H42FN5O3/c1-21-27(22(2)34-20-33-21)28(39)37-17-23-15-35(16-24(23)18-37)11-8-31(25-6-5-7-26(32)14-25)9-12-36(13-10-31)29(40)30(3,4)19-38/h5-7,14,20,23-24,38H,8-13,15-19H2,1-4H3/t23-,24+ RLODTORRZLMXLH-PSWAGMNNSA-N 50305779 1-(4-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-4-(3-fluorophenyl)piperidin-1-yl)-3-hydroxy-2,2-dimethylpropan-1-one::CHEMBL595570 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305779&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225346 104160140 CHEMBL595570 ZINC49762391 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547921 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1)C#N InChI=1S/C33H42FN5O2/c1-22-15-28(17-35)36-23(2)29(22)30(40)39-20-24-18-37(19-25(24)21-39)12-9-33(26-7-6-8-27(34)16-26)10-13-38(14-11-33)31(41)32(3,4)5/h6-8,15-16,24-25H,9-14,18-21H2,1-5H3/t24-,25+ QKDGLHPJJDZYII-PLQXJYEYSA-N 50305780 5-((3aR,6aS)-5-(2-(4-(3-fluorophenyl)-1-pivaloylpiperidin-4-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL595584 C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305780&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225347 104160141 CHEMBL595584 ZINC49757507 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547922 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(CC3)C(=O)C(C)(C)C)c3cccc(F)c3)C[C@@H]2C1)C#N InChI=1S/C33H42FN5O2/c1-22-15-28(17-35)36-23(2)29(22)30(40)39-20-24-18-37(19-25(24)21-39)12-9-33(26-7-6-8-27(34)16-26)10-13-38(14-11-33)31(41)32(3,4)5/h6-8,15-16,24-25H,9-14,18-21H2,1-5H3/t24-,25+ QKDGLHPJJDZYII-PLQXJYEYSA-N 50305780 5-((3aR,6aS)-5-(2-(4-(3-fluorophenyl)-1-pivaloylpiperidin-4-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL595584 C-C chemokine receptor type 5 37 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305780&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225347 104160141 CHEMBL595584 ZINC49757507 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547923 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H41N5O2/c1-22-28(23(2)33-21-32-22)30(38)36-18-25-16-34(17-26(25)19-36)14-12-31(27-10-4-3-5-11-27)13-15-35(20-31)29(37)24-8-6-7-9-24/h3-5,10-11,21,24-26H,6-9,12-20H2,1-2H3/t25-,26+,31? HQDFIDGIFXMQEA-PUEMECIWSA-N 50305781 ((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenylpyrrolidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL596519 C-C chemokine receptor type 5 116 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305781&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225348 104160142 CHEMBL596519 ZINC45364246 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547924 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H41N5O2/c1-22-28(23(2)33-21-32-22)30(38)36-18-25-16-34(17-26(25)19-36)14-12-31(27-10-4-3-5-11-27)13-15-35(20-31)29(37)24-8-6-7-9-24/h3-5,10-11,21,24-26H,6-9,12-20H2,1-2H3/t25-,26+,31? HQDFIDGIFXMQEA-PUEMECIWSA-N 50305781 ((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenylpyrrolidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL596519 C-C chemokine receptor type 5 361 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305781&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225348 104160142 CHEMBL596519 ZINC45364246 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547925 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C33H41N5O2/c1-23-16-29(17-34)35-24(2)30(23)32(40)38-20-26-18-36(19-27(26)21-38)14-12-33(28-10-4-3-5-11-28)13-15-37(22-33)31(39)25-8-6-7-9-25/h3-5,10-11,16,25-27H,6-9,12-15,18-22H2,1-2H3/t26-,27+,33? UNBHWKGKEYWBDN-LFJCUOTISA-N 50305782 5-((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenylpyrrolidin-3-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL595610 C-C chemokine receptor type 5 46 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305782&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225349 104160143 CHEMBL595610 ZINC49762088 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547926 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C33H41N5O2/c1-23-16-29(17-34)35-24(2)30(23)32(40)38-20-26-18-36(19-27(26)21-38)14-12-33(28-10-4-3-5-11-28)13-15-37(22-33)31(39)25-8-6-7-9-25/h3-5,10-11,16,25-27H,6-9,12-15,18-22H2,1-2H3/t26-,27+,33? UNBHWKGKEYWBDN-LFJCUOTISA-N 50305782 5-((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenylpyrrolidin-3-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL595610 C-C chemokine receptor type 5 85 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305782&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225349 104160143 CHEMBL595610 ZINC49762088 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547927 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H41N5O2/c1-21-26(22(2)32-20-31-21)27(36)35-17-23-15-33(16-24(23)18-35)13-11-30(25-9-7-6-8-10-25)12-14-34(19-30)28(37)29(3,4)5/h6-10,20,23-24H,11-19H2,1-5H3/t23-,24+,30? CVJOSWCAPSFIOS-QBONCRILSA-N 50305783 1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-3-phenylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one::CHEMBL594914 C-C chemokine receptor type 5 242 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305783&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225428 104160144 CHEMBL594914 ZINC45349530 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547928 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H41N5O2/c1-21-26(22(2)32-20-31-21)27(36)35-17-23-15-33(16-24(23)18-35)13-11-30(25-9-7-6-8-10-25)12-14-34(19-30)28(37)29(3,4)5/h6-10,20,23-24H,11-19H2,1-5H3/t23-,24+,30? CVJOSWCAPSFIOS-QBONCRILSA-N 50305783 1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-3-phenylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one::CHEMBL594914 C-C chemokine receptor type 5 1943 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305783&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225428 104160144 CHEMBL594914 ZINC45349530 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547929 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C32H41N5O2/c1-22-15-27(16-33)34-23(2)28(22)29(38)37-19-24-17-35(18-25(24)20-37)13-11-32(26-9-7-6-8-10-26)12-14-36(21-32)30(39)31(3,4)5/h6-10,15,24-25H,11-14,17-21H2,1-5H3/t24-,25+,32? XBORXGHEVHTVAZ-FCLIONODSA-N 50305784 4,6-dimethyl-5-((3aR,6aS)-5-(2-(3-phenyl-1-pivaloylpyrrolidin-3-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)picolinonitrile::CHEMBL595902 C-C chemokine receptor type 5 69 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305784&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225429 104160145 CHEMBL595902 ZINC49762139 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547930 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CCN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C32H41N5O2/c1-22-15-27(16-33)34-23(2)28(22)29(38)37-19-24-17-35(18-25(24)20-37)13-11-32(26-9-7-6-8-10-26)12-14-36(21-32)30(39)31(3,4)5/h6-10,15,24-25H,11-14,17-21H2,1-5H3/t24-,25+,32? XBORXGHEVHTVAZ-FCLIONODSA-N 50305784 4,6-dimethyl-5-((3aR,6aS)-5-(2-(3-phenyl-1-pivaloylpyrrolidin-3-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)picolinonitrile::CHEMBL595902 C-C chemokine receptor type 5 360 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305784&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225429 104160145 CHEMBL595902 ZINC49762139 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547931 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H39N5O2/c1-21-27(22(2)32-20-31-21)29(37)34-16-24-14-33(15-25(24)17-34)13-12-30(26-10-4-3-5-11-26)18-35(19-30)28(36)23-8-6-7-9-23/h3-5,10-11,20,23-25H,6-9,12-19H2,1-2H3/t24-,25+ LTPJISPLEQJCLN-PLQXJYEYSA-N 50305785 ((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL596081 C-C chemokine receptor type 5 67 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305785&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225394 104160146 CHEMBL596081 ZINC45348195 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547932 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H39N5O2/c1-21-27(22(2)32-20-31-21)29(37)34-16-24-14-33(15-25(24)17-34)13-12-30(26-10-4-3-5-11-26)18-35(19-30)28(36)23-8-6-7-9-23/h3-5,10-11,20,23-25H,6-9,12-19H2,1-2H3/t24-,25+ LTPJISPLEQJCLN-PLQXJYEYSA-N 50305785 ((3aR,6aS)-5-(2-(1-(cyclopentanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL596081 C-C chemokine receptor type 5 65 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305785&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225394 104160146 CHEMBL596081 ZINC45348195 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547933 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)CC3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H41N5O2/c1-22-29(23(2)33-21-32-22)30(38)35-17-25-15-34(16-26(25)18-35)13-12-31(27-10-4-3-5-11-27)19-36(20-31)28(37)14-24-8-6-7-9-24/h3-5,10-11,21,24-26H,6-9,12-20H2,1-2H3/t25-,26+ VVHHRWVIRPLGFD-WMPKNSHKSA-N 50305786 2-cyclopentyl-1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-3-phenylazetidin-1-yl)ethanone::CHEMBL603325 C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305786&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225350 104160147 CHEMBL603325 ZINC45384522 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547934 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)CC3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H41N5O2/c1-22-29(23(2)33-21-32-22)30(38)35-17-25-15-34(16-26(25)18-35)13-12-31(27-10-4-3-5-11-27)19-36(20-31)28(37)14-24-8-6-7-9-24/h3-5,10-11,21,24-26H,6-9,12-20H2,1-2H3/t25-,26+ VVHHRWVIRPLGFD-WMPKNSHKSA-N 50305786 2-cyclopentyl-1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-3-phenylazetidin-1-yl)ethanone::CHEMBL603325 C-C chemokine receptor type 5 136 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305786&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225350 104160147 CHEMBL603325 ZINC45384522 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547935 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H37N5O3/c1-20-26(21(2)31-19-30-20)28(36)33-14-23-12-32(13-24(23)15-33)10-9-29(25-6-4-3-5-7-25)17-34(18-29)27(35)22-8-11-37-16-22/h3-7,19,22-24H,8-18H2,1-2H3/t22?,23-,24+ TUQYFCRVUUOYQG-CWAQXLGLSA-N 50305787 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(2-(3-phenyl-1-(tetrahydrofuran-3-carbonyl)azetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL604070 C-C chemokine receptor type 5 55 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305787&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225395 104160148 CHEMBL604070 ZINC45387498 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547936 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H37N5O3/c1-20-26(21(2)31-19-30-20)28(36)33-14-23-12-32(13-24(23)15-33)10-9-29(25-6-4-3-5-7-25)17-34(18-29)27(35)22-8-11-37-16-22/h3-7,19,22-24H,8-18H2,1-2H3/t22?,23-,24+ TUQYFCRVUUOYQG-CWAQXLGLSA-N 50305787 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(2-(3-phenyl-1-(tetrahydrofuran-3-carbonyl)azetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL604070 C-C chemokine receptor type 5 559 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305787&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225395 104160148 CHEMBL604070 ZINC45387498 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547937 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H39N5O2/c1-20-25(21(2)31-19-30-20)26(35)33-15-22-13-32(14-23(22)16-33)12-11-29(24-9-7-6-8-10-24)17-34(18-29)27(36)28(3,4)5/h6-10,19,22-23H,11-18H2,1-5H3/t22-,23+ KTCNURWWKFBZML-ZRZAMGCNSA-N 50305788 1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-3-phenylazetidin-1-yl)-2,2-dimethylpropan-1-one::CHEMBL605727 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305788&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225512 104160149 CHEMBL605727 ZINC45391144 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547938 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C(C)(C)C)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H39N5O2/c1-20-25(21(2)31-19-30-20)26(35)33-15-22-13-32(14-23(22)16-33)12-11-29(24-9-7-6-8-10-24)17-34(18-29)27(36)28(3,4)5/h6-10,19,22-23H,11-18H2,1-5H3/t22-,23+ KTCNURWWKFBZML-ZRZAMGCNSA-N 50305788 1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-3-phenylazetidin-1-yl)-2,2-dimethylpropan-1-one::CHEMBL605727 C-C chemokine receptor type 5 186 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305788&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225512 104160149 CHEMBL605727 ZINC45391144 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547939 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C(C)(C)CO)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H39N5O3/c1-20-25(21(2)31-19-30-20)26(36)33-14-22-12-32(13-23(22)15-33)11-10-29(24-8-6-5-7-9-24)16-34(17-29)27(37)28(3,4)18-35/h5-9,19,22-23,35H,10-18H2,1-4H3/t22-,23+ OLCKWXUKSKIWBP-ZRZAMGCNSA-N 50305789 1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-3-phenylazetidin-1-yl)-3-hydroxy-2,2-dimethylpropan-1-one::CHEMBL604680 C-C chemokine receptor type 5 56 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305789&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225513 104160150 CHEMBL604680 ZINC45385904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547940 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C(C)(C)CO)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H39N5O3/c1-20-25(21(2)31-19-30-20)26(36)33-14-22-12-32(13-23(22)15-33)11-10-29(24-8-6-5-7-9-24)16-34(17-29)27(37)28(3,4)18-35/h5-9,19,22-23,35H,10-18H2,1-4H3/t22-,23+ OLCKWXUKSKIWBP-ZRZAMGCNSA-N 50305789 1-(3-(2-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethyl)-3-phenylazetidin-1-yl)-3-hydroxy-2,2-dimethylpropan-1-one::CHEMBL604680 C-C chemokine receptor type 5 310 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305789&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225513 104160150 CHEMBL604680 ZINC45385904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547941 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)S(=O)(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H39N5O3S/c1-21-27(22(2)31-20-30-21)28(35)33-16-23-14-32(15-24(23)17-33)13-12-29(25-8-4-3-5-9-25)18-34(19-29)38(36,37)26-10-6-7-11-26/h3-5,8-9,20,23-24,26H,6-7,10-19H2,1-2H3/t23-,24+ UNBFIGLKGNIVIA-PSWAGMNNSA-N 50305790 ((3aR,6aS)-5-(2-(1-(cyclopentylsulfonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL594208 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305790&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225514 104160151 CHEMBL594208 ZINC49756838 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547942 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)S(=O)(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H39N5O3S/c1-21-27(22(2)31-20-30-21)28(35)33-16-23-14-32(15-24(23)17-33)13-12-29(25-8-4-3-5-9-25)18-34(19-29)38(36,37)26-10-6-7-11-26/h3-5,8-9,20,23-24,26H,6-7,10-19H2,1-2H3/t23-,24+ UNBFIGLKGNIVIA-PSWAGMNNSA-N 50305790 ((3aR,6aS)-5-(2-(1-(cyclopentylsulfonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL594208 C-C chemokine receptor type 5 458 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305790&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225514 104160151 CHEMBL594208 ZINC49756838 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547943 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H39F2N5O2/c1-21-27(22(2)35-20-34-21)29(40)37-16-24-14-36(15-25(24)17-37)13-12-30(26-6-4-3-5-7-26)18-38(19-30)28(39)23-8-10-31(32,33)11-9-23/h3-7,20,23-25H,8-19H2,1-2H3/t24-,25+ AHIWFLCAIXYEJK-PLQXJYEYSA-N 50305791 ((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL592940 C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305791&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225515 104160152 CHEMBL592940 ZINC49756292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547944 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H39F2N5O2/c1-21-27(22(2)35-20-34-21)29(40)37-16-24-14-36(15-25(24)17-37)13-12-30(26-6-4-3-5-7-26)18-38(19-30)28(39)23-8-10-31(32,33)11-9-23/h3-7,20,23-25H,8-19H2,1-2H3/t24-,25+ AHIWFLCAIXYEJK-PLQXJYEYSA-N 50305791 ((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL592940 C-C chemokine receptor type 5 10 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305791&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225515 104160152 CHEMBL592940 ZINC49756292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547945 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H35F2N5O2/c1-19-25(20(2)33-18-32-19)27(38)35-14-22-12-34(13-23(22)15-35)9-8-28(24-6-4-3-5-7-24)16-36(17-28)26(37)21-10-29(30,31)11-21/h3-7,18,21-23H,8-17H2,1-2H3/t22-,23+ QEUFDDTZYXVZLP-ZRZAMGCNSA-N 50305792 ((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL593520 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305792&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225526 104160153 CHEMBL593520 ZINC45350319 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547946 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H35F2N5O2/c1-19-25(20(2)33-18-32-19)27(38)35-14-22-12-34(13-23(22)15-35)9-8-28(24-6-4-3-5-7-24)16-36(17-28)26(37)21-10-29(30,31)11-21/h3-7,18,21-23H,8-17H2,1-2H3/t22-,23+ QEUFDDTZYXVZLP-ZRZAMGCNSA-N 50305792 ((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL593520 C-C chemokine receptor type 5 93 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305792&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225526 104160153 CHEMBL593520 ZINC45350319 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547947 Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C30H36F3N5O3/c1-19-25(20(2)35-28(34-19)30(31,32)33)27(40)37-14-22-12-36(13-23(22)15-37)10-9-29(24-6-4-3-5-7-24)17-38(18-29)26(39)21-8-11-41-16-21/h3-7,21-23H,8-18H2,1-2H3/t21?,22-,23+ GHWDTFLMALBCPA-NOTZXAQLSA-N 50305793 (4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl)((3aR,6aS)-5-(2-(3-phenyl-1-(tetrahydrofuran-3-carbonyl)azetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL593184 C-C chemokine receptor type 5 38 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305793&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225527 104160154 CHEMBL593184 ZINC49756310 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547948 Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C30H36F3N5O3/c1-19-25(20(2)35-28(34-19)30(31,32)33)27(40)37-14-22-12-36(13-23(22)15-37)10-9-29(24-6-4-3-5-7-24)17-38(18-29)26(39)21-8-11-41-16-21/h3-7,21-23H,8-18H2,1-2H3/t21?,22-,23+ GHWDTFLMALBCPA-NOTZXAQLSA-N 50305793 (4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl)((3aR,6aS)-5-(2-(3-phenyl-1-(tetrahydrofuran-3-carbonyl)azetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL593184 C-C chemokine receptor type 5 92 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305793&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225527 104160154 CHEMBL593184 ZINC49756310 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547949 Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C32H38F5N5O2/c1-20-26(21(2)39-29(38-20)32(35,36)37)28(44)41-16-23-14-40(15-24(23)17-41)13-12-30(25-6-4-3-5-7-25)18-42(19-30)27(43)22-8-10-31(33,34)11-9-22/h3-7,22-24H,8-19H2,1-2H3/t23-,24+ UPKUAZLDRZHBNE-PSWAGMNNSA-N 50305794 ((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl)methanone::CHEMBL592993 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305794&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225528 104160155 CHEMBL592993 ZINC49757344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547950 Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C32H38F5N5O2/c1-20-26(21(2)39-29(38-20)32(35,36)37)28(44)41-16-23-14-40(15-24(23)17-41)13-12-30(25-6-4-3-5-7-25)18-42(19-30)27(43)22-8-10-31(33,34)11-9-22/h3-7,22-24H,8-19H2,1-2H3/t23-,24+ UPKUAZLDRZHBNE-PSWAGMNNSA-N 50305794 ((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl)methanone::CHEMBL592993 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305794&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225528 104160155 CHEMBL592993 ZINC49757344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547951 Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C30H34F5N5O2/c1-18-24(19(2)37-27(36-18)30(33,34)35)26(42)39-14-21-12-38(13-22(21)15-39)9-8-28(23-6-4-3-5-7-23)16-40(17-28)25(41)20-10-29(31,32)11-20/h3-7,20-22H,8-17H2,1-2H3/t21-,22+ BVLZCMHSCQAJGH-SZPZYZBQSA-N 50305795 ((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl)methanone::CHEMBL593195 C-C chemokine receptor type 5 66 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305795&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225529 104160156 CHEMBL593195 ZINC49756638 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547952 Cc1nc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C30H34F5N5O2/c1-18-24(19(2)37-27(36-18)30(33,34)35)26(42)39-14-21-12-38(13-22(21)15-39)9-8-28(23-6-4-3-5-7-23)16-40(17-28)25(41)20-10-29(31,32)11-20/h3-7,20-22H,8-17H2,1-2H3/t21-,22+ BVLZCMHSCQAJGH-SZPZYZBQSA-N 50305795 ((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethyl-2-(trifluoromethyl)pyrimidin-5-yl)methanone::CHEMBL593195 C-C chemokine receptor type 5 168 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305795&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225529 104160156 CHEMBL593195 ZINC49756638 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547953 Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C32H40F2N4O2/c1-22-10-14-35-23(2)28(22)30(40)37-18-25-16-36(17-26(25)19-37)15-13-31(27-6-4-3-5-7-27)20-38(21-31)29(39)24-8-11-32(33,34)12-9-24/h3-7,10,14,24-26H,8-9,11-13,15-21H2,1-2H3/t25-,26+ HFMLZHBDZJPYMB-WMPKNSHKSA-N 50305796 ((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethylpyridin-3-yl)methanone::CHEMBL592997 C-C chemokine receptor type 5 38 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305796&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225530 104160157 CHEMBL592997 ZINC49756150 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547954 Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C32H40F2N4O2/c1-22-10-14-35-23(2)28(22)30(40)37-18-25-16-36(17-26(25)19-37)15-13-31(27-6-4-3-5-7-27)20-38(21-31)29(39)24-8-11-32(33,34)12-9-24/h3-7,10,14,24-26H,8-9,11-13,15-21H2,1-2H3/t25-,26+ HFMLZHBDZJPYMB-WMPKNSHKSA-N 50305796 ((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethylpyridin-3-yl)methanone::CHEMBL592997 C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305796&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225530 104160157 CHEMBL592997 ZINC49756150 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547955 Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H36F2N4O2/c1-20-8-10-33-21(2)26(20)28(38)35-16-23-14-34(15-24(23)17-35)11-9-29(25-6-4-3-5-7-25)18-36(19-29)27(37)22-12-30(31,32)13-22/h3-8,10,22-24H,9,11-19H2,1-2H3/t23-,24+ WWSKOVKRPHATCH-PSWAGMNNSA-N 50305797 ((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethylpyridin-3-yl)methanone::CHEMBL596523 C-C chemokine receptor type 5 60 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305797&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225531 104160158 CHEMBL596523 ZINC45364779 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547956 Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H36F2N4O2/c1-20-8-10-33-21(2)26(20)28(38)35-16-23-14-34(15-24(23)17-35)11-9-29(25-6-4-3-5-7-25)18-36(19-29)27(37)22-12-30(31,32)13-22/h3-8,10,22-24H,9,11-19H2,1-2H3/t23-,24+ WWSKOVKRPHATCH-PSWAGMNNSA-N 50305797 ((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethylpyridin-3-yl)methanone::CHEMBL596523 C-C chemokine receptor type 5 53 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305797&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225531 104160158 CHEMBL596523 ZINC45364779 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547957 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C33H39F2N5O2/c1-22-14-28(15-36)37-23(2)29(22)31(42)39-18-25-16-38(17-26(25)19-39)13-12-32(27-6-4-3-5-7-27)20-40(21-32)30(41)24-8-10-33(34,35)11-9-24/h3-7,14,24-26H,8-13,16-21H2,1-2H3/t25-,26+ DYVUOEZSLYYKAD-WMPKNSHKSA-N 50305798 5-((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL593027 C-C chemokine receptor type 5 17 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305798&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46191233 104160159 CHEMBL593027 ZINC49757017 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547958 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C31H35F2N5O2/c1-20-10-26(13-34)35-21(2)27(20)29(40)37-16-23-14-36(15-24(23)17-37)9-8-30(25-6-4-3-5-7-25)18-38(19-30)28(39)22-11-31(32,33)12-22/h3-7,10,22-24H,8-9,11-12,14-19H2,1-2H3/t23-,24+ YDPUJHRXDCRWKB-PSWAGMNNSA-N 50305799 5-((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL593042 C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305799&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225532 104160160 CHEMBL593042 ZINC49757263 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547959 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C31H35F2N5O2/c1-20-10-26(13-34)35-21(2)27(20)29(40)37-16-23-14-36(15-24(23)17-37)9-8-30(25-6-4-3-5-7-25)18-38(19-30)28(39)22-11-31(32,33)12-22/h3-7,10,22-24H,8-9,11-12,14-19H2,1-2H3/t23-,24+ YDPUJHRXDCRWKB-PSWAGMNNSA-N 50305799 5-((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL593042 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305799&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225532 104160160 CHEMBL593042 ZINC49757263 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547960 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C33H39F5N4O2/c1-21-14-27(33(36,37)38)39-22(2)28(21)30(44)41-17-24-15-40(16-25(24)18-41)13-12-31(26-6-4-3-5-7-26)19-42(20-31)29(43)23-8-10-32(34,35)11-9-23/h3-7,14,23-25H,8-13,15-20H2,1-2H3/t24-,25+ KPURTNMKRQFRJT-PLQXJYEYSA-N 50305800 ((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethyl-6-(trifluoromethyl)pyridin-3-yl)methanone::CHEMBL593046 C-C chemokine receptor type 5 21 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305800&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46191232 104160161 CHEMBL593046 ZINC49757308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547961 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C33H39F5N4O2/c1-21-14-27(33(36,37)38)39-22(2)28(21)30(44)41-17-24-15-40(16-25(24)18-41)13-12-31(26-6-4-3-5-7-26)19-42(20-31)29(43)23-8-10-32(34,35)11-9-23/h3-7,14,23-25H,8-13,15-20H2,1-2H3/t24-,25+ KPURTNMKRQFRJT-PLQXJYEYSA-N 50305800 ((3aR,6aS)-5-(2-(1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethyl-6-(trifluoromethyl)pyridin-3-yl)methanone::CHEMBL593046 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305800&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46191232 104160161 CHEMBL593046 ZINC49757308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547962 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C31H35F5N4O2/c1-19-10-25(31(34,35)36)37-20(2)26(19)28(42)39-15-22-13-38(14-23(22)16-39)9-8-29(24-6-4-3-5-7-24)17-40(18-29)27(41)21-11-30(32,33)12-21/h3-7,10,21-23H,8-9,11-18H2,1-2H3/t22-,23+ QHTZKDAJWFACKZ-ZRZAMGCNSA-N 50305801 ((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethyl-6-(trifluoromethyl)pyridin-3-yl)methanone::CHEMBL593080 C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305801&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225533 104160162 CHEMBL593080 ZINC49756799 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50547963 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(CN(C3)C(=O)C3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1)C(F)(F)F InChI=1S/C31H35F5N4O2/c1-19-10-25(31(34,35)36)37-20(2)26(19)28(42)39-15-22-13-38(14-23(22)16-39)9-8-29(24-6-4-3-5-7-24)17-40(18-29)27(41)21-11-30(32,33)12-21/h3-7,10,21-23H,8-9,11-18H2,1-2H3/t22-,23+ QHTZKDAJWFACKZ-ZRZAMGCNSA-N 50305801 ((3aR,6aS)-5-(2-(1-(3,3-difluorocyclobutanecarbonyl)-3-phenylazetidin-3-yl)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2,4-dimethyl-6-(trifluoromethyl)pyridin-3-yl)methanone::CHEMBL593080 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2009.11.072 10.7270/Q22R3RSC 20004099 Lemoine, RC; Petersen, AC; Setti, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, P; Rotstein, D Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50305801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50305801&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46225533 104160162 CHEMBL593080 ZINC49756799 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548403 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548404 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 94 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548405 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33) VBONNDPACFTZMX-UHFFFAOYSA-N 50190513 (RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL556798 C-C chemokine receptor type 5 50 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190513&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491774 104073804 CHEMBL556798 ZINC03965128 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548406 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30) OYYLRSIEFZQBJI-UHFFFAOYSA-N 50190523 1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540366 C-C chemokine receptor type 5 180 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190523&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10277467 104073814 CHEMBL540366 ZINC03989620 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548407 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1 InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28) APZAJCZLYILDDW-UHFFFAOYSA-N 50190522 (RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL557199::rac-9-Benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 900 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190522&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10159218 104073813 CHEMBL557199 ZINC34350292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548408 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1 InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32) KSJFBUQQDKCVSE-UHFFFAOYSA-N 50190525 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-methoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557015::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dionehydrochloride C-C chemokine receptor type 5 120 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190525&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10117348 104073816 CHEMBL557015 ZINC34250074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548409 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccccc3)c2)CC1 InChI=1S/C33H45N3O3/c1-2-3-20-36-31(37)30(25-26-11-6-4-7-12-26)34-32(38)33(36)18-22-35(23-19-33)21-17-27-13-10-16-29(24-27)39-28-14-8-5-9-15-28/h5,8-10,13-16,24,26,30H,2-4,6-7,11-12,17-23,25H2,1H3,(H,34,38)/t30-/m0/s1 SSTLFVIKGGGGDX-PMERELPUSA-N 50306048 (S)-1-butyl-3-(cyclohexylmethyl)-9-(3-phenoxyphenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL593605 C-C chemokine receptor type 5 10000 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306048&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226118 104160409 CHEMBL593605 ZINC45340185 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548410 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Sc3ccccc3)c2)CC1 InChI=1S/C33H45N3O2S/c1-2-3-20-36-31(37)30(25-26-11-6-4-7-12-26)34-32(38)33(36)18-22-35(23-19-33)21-17-27-13-10-16-29(24-27)39-28-14-8-5-9-15-28/h5,8-10,13-16,24,26,30H,2-4,6-7,11-12,17-23,25H2,1H3,(H,34,38)/t30-/m0/s1 MTNIXVKNTZJBNP-PMERELPUSA-N 50306049 (S)-3-benzyl-1-butyl-9-(3-(phenylthio)phenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL596165 C-C chemokine receptor type 5 170 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306049&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226120 104160410 CHEMBL596165 ZINC49762144 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548411 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(c2)S(=O)(=O)c2ccccc2)CC1 InChI=1S/C33H45N3O4S/c1-2-3-20-36-31(37)30(25-26-11-6-4-7-12-26)34-32(38)33(36)18-22-35(23-19-33)21-17-27-13-10-16-29(24-27)41(39,40)28-14-8-5-9-15-28/h5,8-10,13-16,24,26,30H,2-4,6-7,11-12,17-23,25H2,1H3,(H,34,38)/t30-/m0/s1 WQXNHIBCPPQZRH-PMERELPUSA-N 50306050 (S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(phenylsulfonyl)phenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL592918 C-C chemokine receptor type 5 86 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306050&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226122 104160411 CHEMBL592918 ZINC49757091 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548412 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(C)cc3)c2)CC1 InChI=1S/C34H47N3O3/c1-3-4-20-37-32(38)31(25-27-9-6-5-7-10-27)35-33(39)34(37)18-22-36(23-19-34)21-17-28-11-8-12-30(24-28)40-29-15-13-26(2)14-16-29/h8,11-16,24,27,31H,3-7,9-10,17-23,25H2,1-2H3,(H,35,39)/t31-/m0/s1 DTWKZNGXUYBMLT-HKBQPEDESA-N 50306051 (S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(p-tolyloxy)phenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL593204 C-C chemokine receptor type 5 79 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306051&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226124 104160412 CHEMBL593204 ZINC49756974 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548413 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(OC)cc3)c2)CC1 InChI=1S/C34H47N3O4/c1-3-4-20-37-32(38)31(25-26-9-6-5-7-10-26)35-33(39)34(37)18-22-36(23-19-34)21-17-27-11-8-12-30(24-27)41-29-15-13-28(40-2)14-16-29/h8,11-16,24,26,31H,3-7,9-10,17-23,25H2,1-2H3,(H,35,39)/t31-/m0/s1 TZLGIAYWQIKOLM-HKBQPEDESA-N 50306052 (S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(4-methoxyphenoxy)phenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL593177 C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306052&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226126 104160413 CHEMBL593177 ZINC49756303 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548414 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(O)cc3)c2)CC1 InChI=1S/C33H45N3O4/c1-2-3-19-36-31(38)30(24-25-8-5-4-6-9-25)34-32(39)33(36)17-21-35(22-18-33)20-16-26-10-7-11-29(23-26)40-28-14-12-27(37)13-15-28/h7,10-15,23,25,30,37H,2-6,8-9,16-22,24H2,1H3,(H,34,39)/t30-/m0/s1 WXLFJLLHHQYRBX-PMERELPUSA-N 50306053 (S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(4-hydroxyphenoxy)phenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL592944 C-C chemokine receptor type 5 42 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226128 104160414 CHEMBL592944 ZINC49756412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548415 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(F)cc3)c2)CC1 InChI=1S/C33H44FN3O3/c1-2-3-19-37-31(38)30(24-25-8-5-4-6-9-25)35-32(39)33(37)17-21-36(22-18-33)20-16-26-10-7-11-29(23-26)40-28-14-12-27(34)13-15-28/h7,10-15,23,25,30H,2-6,8-9,16-22,24H2,1H3,(H,35,39)/t30-/m0/s1 ZFCPCEXARXCKTA-PMERELPUSA-N 50306054 (S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(4-fluorophenoxy)phenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL593111 C-C chemokine receptor type 5 92 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306054&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226130 104160415 CHEMBL593111 ZINC49757352 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50548416 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(cc3)C(O)=O)c2)CC1 InChI=1S/C34H45N3O5/c1-2-3-19-37-31(38)30(24-25-8-5-4-6-9-25)35-33(41)34(37)17-21-36(22-18-34)20-16-26-10-7-11-29(23-26)42-28-14-12-27(13-15-28)32(39)40/h7,10-15,23,25,30H,2-6,8-9,16-22,24H2,1H3,(H,35,41)(H,39,40)/t30-/m0/s1 SBZPSAGYCNBFET-PMERELPUSA-N 50306055 (S)-4-(3-(2-(1-butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)ethyl)phenoxy)benzoic acid hydrochloride::CHEMBL593205 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2009.11.018 10.7270/Q2NK3F4P 20005712 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50306055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50306055&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46226132 104160416 CHEMBL593205 ZINC49757019 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50569824 C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1 YPTODVXKEJXEET-LJAQVGFWSA-N 50315303 (S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine::CHEMBL1093137 C-C chemokine receptor type 5 >10000 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315303&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46206137 104149664 CHEMBL1093137 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50569825 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1 WVLHHLRVNDMIAR-IBGZPJMESA-N 50315305 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine::(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL518924 C-C chemokine receptor type 5 >10000 ChEMBL 10.1021/jm100073m 10.7270/Q2GQ6XW9 20297846 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50315305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50315305&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11256587 104149666 CHEMBL518924 ZINC33359232 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558734 CCCCC1N(CC2CCCCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C32H49N3O3/c1-4-5-14-28-32(38-31(37)35(28)23-26-12-7-6-8-13-26)17-21-33(22-18-32)27-15-19-34(20-16-27)30(36)29-24(2)10-9-11-25(29)3/h9-11,26-28H,4-8,12-23H2,1-3H3 UCDXFDZZQRBDBU-UHFFFAOYSA-N 50310724 4-butyl-3-(cyclohexylmethyl)-8-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1080794 C-C chemokine receptor type 5 51 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310724&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883507 104145085 CHEMBL1080794 ZINC49034129 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558735 CCCCC1N(CC2CCCCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C InChI=1S/C31H47N3O3/c1-3-4-14-28-31(37-30(36)34(28)23-25-11-6-5-7-12-25)17-21-32(22-18-31)26-15-19-33(20-16-26)29(35)27-13-9-8-10-24(27)2/h8-10,13,25-26,28H,3-7,11-12,14-23H2,1-2H3 CPRSUYJBVWDQCV-UHFFFAOYSA-N 50310725 4-butyl-3-(cyclohexylmethyl)-8-(1-(2-methylbenzoyl)piperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1077988 C-C chemokine receptor type 5 100 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310725&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882871 104145086 CHEMBL1077988 ZINC48999492 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558736 CCCCC1N(CC2CCCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C31H47N3O3/c1-4-5-13-27-31(37-30(36)34(27)22-25-11-6-7-12-25)16-20-32(21-17-31)26-14-18-33(19-15-26)29(35)28-23(2)9-8-10-24(28)3/h8-10,25-27H,4-7,11-22H2,1-3H3 BQGPVKKNJCGGSP-UHFFFAOYSA-N 50310726 4-butyl-3-(cyclopentylmethyl)-8-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1077989 C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310726&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882872 104145087 CHEMBL1077989 ZINC48999496 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558737 CCCCC1N(CC2CCOCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C31H47N3O4/c1-4-5-9-27-31(38-30(36)34(27)22-25-12-20-37-21-13-25)14-18-32(19-15-31)26-10-16-33(17-11-26)29(35)28-23(2)7-6-8-24(28)3/h6-8,25-27H,4-5,9-22H2,1-3H3 GSGHHANFVYYMSM-UHFFFAOYSA-N 50310727 4-butyl-8-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1078072 C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310727&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882873 104145088 CHEMBL1078072 ZINC49114612 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558738 CCCCC1N(Cc2ccccc2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C32H43N3O3/c1-4-5-14-28-32(38-31(37)35(28)23-26-12-7-6-8-13-26)17-21-33(22-18-32)27-15-19-34(20-16-27)30(36)29-24(2)10-9-11-25(29)3/h6-13,27-28H,4-5,14-23H2,1-3H3 OVAAQBKFWMSBDM-UHFFFAOYSA-N 50310728 3-benzyl-4-butyl-8-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1078647 C-C chemokine receptor type 5 144 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310728&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25057602 104145089 CHEMBL1078647 ZINC49016921 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558739 CCCC1N(CC2CCCCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C31H47N3O3/c1-4-9-27-31(37-30(36)34(27)22-25-12-6-5-7-13-25)16-20-32(21-17-31)26-14-18-33(19-15-26)29(35)28-23(2)10-8-11-24(28)3/h8,10-11,25-27H,4-7,9,12-22H2,1-3H3 XRWCFFSMTYOSBA-UHFFFAOYSA-N 50310729 3-(cyclohexylmethyl)-8-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-4-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1078648 C-C chemokine receptor type 5 300 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310729&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25057877 104145090 CHEMBL1078648 ZINC49016929 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558740 CCCCC1N(CC2CCCCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C33H51N3O3/c1-5-6-15-28-33(39-31(38)36(28)24-27-13-8-7-9-14-27)18-22-35(23-19-33)32(4)16-20-34(21-17-32)30(37)29-25(2)11-10-12-26(29)3/h10-12,27-28H,5-9,13-24H2,1-4H3 FRWMBAREYKAXIM-UHFFFAOYSA-N 50310730 4-butyl-3-(cyclohexylmethyl)-8-(1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1077779 C-C chemokine receptor type 5 10 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310730&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882916 104145091 CHEMBL1077779 ZINC49110521 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558741 CCCCC1N(CC2CCCCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C31H49N5O3/c1-5-6-12-26-31(39-29(38)36(26)21-25-10-8-7-9-11-25)15-19-35(20-16-31)30(4)13-17-34(18-14-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3 SOTWHQNDCMJPNL-UHFFFAOYSA-N 50310731 4-butyl-3-(cyclohexylmethyl)-8-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1077912 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310731&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882947 104145092 CHEMBL1077912 ZINC49114376 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558742 CCCCC1N(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C30H47N5O4/c1-5-6-7-25-30(39-28(37)35(25)20-24-8-18-38-19-9-24)12-16-34(17-13-30)29(4)10-14-33(15-11-29)27(36)26-22(2)31-21-32-23(26)3/h21,24-25H,5-20H2,1-4H3 KQLSXCNTMVFPSL-UHFFFAOYSA-N 50310732 4-butyl-8-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one::CHEMBL1078659 C-C chemokine receptor type 5 58 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310732&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882948 104145093 CHEMBL1078659 ZINC49018142 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558743 CCCCC1CN(CC2CCCCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C33H51N3O3/c1-4-5-14-28-24-36(23-27-12-7-6-8-13-27)32(38)39-33(28)17-21-34(22-18-33)29-15-19-35(20-16-29)31(37)30-25(2)10-9-11-26(30)3/h9-11,27-29H,4-8,12-24H2,1-3H3 TUOGNBAQCBUIHK-UHFFFAOYSA-N 50310733 5-butyl-3-(cyclohexylmethyl)-9-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078753 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11433740 104145094 CHEMBL1078753 ZINC49015655 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558744 CCCCC1CN(CC2CCCCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C31H49N5O3/c1-4-5-11-26-21-36(20-25-9-7-6-8-10-25)30(38)39-31(26)14-18-34(19-15-31)27-12-16-35(17-13-27)29(37)28-23(2)32-22-33-24(28)3/h22,25-27H,4-21H2,1-3H3 IDEGMDBRNXENQR-UHFFFAOYSA-N 50310734 5-butyl-3-(cyclohexylmethyl)-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-yl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078013 C-C chemokine receptor type 5 68 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11342750 104145095 CHEMBL1078013 ZINC48998249 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558745 CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C32H49N3O4/c1-4-5-9-27-23-35(22-26-12-20-38-21-13-26)31(37)39-32(27)14-18-33(19-15-32)28-10-16-34(17-11-28)30(36)29-24(2)7-6-8-25(29)3/h6-8,26-28H,4-5,9-23H2,1-3H3 BBKNZDXWDHCIOQ-UHFFFAOYSA-N 50310735 5-butyl-9-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078014 C-C chemokine receptor type 5 89 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11215950 104145096 CHEMBL1078014 ZINC48998251 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558746 CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C30H47N5O4/c1-4-5-6-25-20-35(19-24-9-17-38-18-10-24)29(37)39-30(25)11-15-33(16-12-30)26-7-13-34(14-8-26)28(36)27-22(2)31-21-32-23(27)3/h21,24-26H,4-20H2,1-3H3 BAXFHZTZXORGEP-UHFFFAOYSA-N 50310736 5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078015 C-C chemokine receptor type 5 76 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11787124 104145097 CHEMBL1078015 ZINC36436684 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558747 CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3 CXXVJZRGOOIVOD-UHFFFAOYSA-N 50310737 5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078723 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11342841 104145098 CHEMBL1078723 ZINC49768134 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558748 CCCC[C@@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m1/s1 CXXVJZRGOOIVOD-AREMUKBSSA-N 50310738 (R)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078141 C-C chemokine receptor type 5 100 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882985 104145099 CHEMBL1078141 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558749 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1 CXXVJZRGOOIVOD-SANMLTNESA-N 50310739 (S)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078231 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44555481 104145100 CHEMBL1078231 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558750 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C InChI=1S/C32H50N4O4/c1-5-6-7-27-23-35(22-26-9-20-39-21-10-26)30(38)40-32(27)13-18-36(19-14-32)31(4)11-16-34(17-12-31)29(37)28-24(2)8-15-33-25(28)3/h8,15,26-27H,5-7,9-14,16-23H2,1-4H3/t27-/m0/s1 POKLFLYOUOPFHQ-MHZLTWQESA-N 50310740 (S)-5-butyl-9-(1-(2,4-dimethylnicotinoyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078936 C-C chemokine receptor type 5 61 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883025 104145101 CHEMBL1078936 ZINC49792878 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558751 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C InChI=1S/C32H50N4O5/c1-5-6-7-27-23-34(22-26-9-20-40-21-10-26)30(38)41-32(27)13-18-35(19-14-32)31(4)11-16-33(17-12-31)29(37)28-24(2)8-15-36(39)25(28)3/h8,15,26-27H,5-7,9-14,16-23H2,1-4H3/t27-/m0/s1 SISLVQRDZSMKIB-MHZLTWQESA-N 50310741 (S)-3-(4-(5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)-4-methylpiperidine-1-carbonyl)-2,4-dimethylpyridine 1-oxide::CHEMBL1078710 C-C chemokine receptor type 5 80 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883026 104145102 CHEMBL1078710 ZINC49771245 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558752 CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N InChI=1S/C33H49N5O4/c1-5-6-7-27-23-37(22-26-8-18-41-19-9-26)31(40)42-33(27)12-16-38(17-13-33)32(4)10-14-36(15-11-32)30(39)29-24(2)20-28(21-34)35-25(29)3/h20,26-27H,5-19,22-23H2,1-4H3 OPRMDVBOKTXNJA-UHFFFAOYSA-N 50310742 (+/-)-5-(4-(5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)-4-methylpiperidine-1-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1078711 C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310742&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883027 104145103 CHEMBL1078711 ZINC49771247 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558753 CCCC[C@H]1CN(C)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N InChI=1S/C28H41N5O3/c1-6-7-8-22-19-31(5)26(35)36-28(22)11-15-33(16-12-28)27(4)9-13-32(14-10-27)25(34)24-20(2)17-23(18-29)30-21(24)3/h17,22H,6-16,19H2,1-5H3/t22-/m0/s1 LLQOAGQUGSEMLC-QFIPXVFZSA-N 50310743 (S)-5-(4-(5-butyl-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)-4-methylpiperidine-1-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1078937 C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883028 104145104 CHEMBL1078937 ZINC49015278 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558754 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(=O)oc1C InChI=1S/C32H49N3O6/c1-5-6-7-26-22-34(21-25-8-18-39-19-9-25)30(38)41-32(26)12-16-35(17-13-32)31(4)10-14-33(15-11-31)29(37)28-23(2)20-27(36)40-24(28)3/h20,25-26H,5-19,21-22H2,1-4H3/t26-/m0/s1 UOIXIUCTWQNZPK-SANMLTNESA-N 50310744 (S)-5-butyl-9-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078712 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883029 104145105 CHEMBL1078712 ZINC49771211 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558755 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F InChI=1S/C32H48F3N5O4/c1-5-6-7-25-21-39(20-24-8-18-43-19-9-24)29(42)44-31(25)12-16-40(17-13-31)30(4)10-14-38(15-11-30)27(41)26-22(2)36-28(32(33,34)35)37-23(26)3/h24-25H,5-21H2,1-4H3/t25-/m0/s1 PBBNAVGXBQDIMO-VWLOTQADSA-N 50310745 (S)-5-butyl-9-(1-(4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078713 C-C chemokine receptor type 5 97 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883030 104145106 CHEMBL1078713 ZINC49771248 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558756 CCCC[C@H]1CN(CC2CCC(F)(F)CC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C32H49F2N5O3/c1-5-6-7-26-21-38(20-25-8-10-32(33,34)11-9-25)29(41)42-31(26)14-18-39(19-15-31)30(4)12-16-37(17-13-30)28(40)27-23(2)35-22-36-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1 ZOUBVRYFOBAGOI-SANMLTNESA-N 50310746 (5S)-5-butyl-3-((4,4-difluorocyclohexyl)methyl)-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078714 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44555482 104145107 CHEMBL1078714 ZINC49771330 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50558757 CCCC[C@H]1CN(CC2CCCCO2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C InChI=1S/C32H50N4O4/c1-5-6-9-26-22-35(23-27-10-7-8-21-39-27)30(38)40-32(26)14-19-36(20-15-32)31(4)12-17-34(18-13-31)29(37)28-24(2)11-16-33-25(28)3/h11,16,26-27H,5-10,12-15,17-23H2,1-4H3/t26-,27?/m0/s1 VQXGQXVCZKFEQP-QBHOUYDASA-N 50310747 (5S)-5-butyl-9-(1-(2,4-dimethylnicotinoyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-2-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078335 C-C chemokine receptor type 5 10 ChEMBL 10.1016/j.bmcl.2009.07.122 10.7270/Q25H7GD5 19674898 Rotstein, DM; Gabriel, SD; Makra, F; Filonova, L; Gleason, S; Brotherton-Pleiss, C; Setti, LQ; Trejo-Martin, A; Lee, EK; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Weller, P; Mau, CI Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883031 104145108 CHEMBL1078335 ZINC49802273 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566052 COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C29H38F3N5O2/c1-18-13-35(9-10-37(18)26(16-39-4)21-5-7-24(8-6-21)29(30,31)32)25-11-22-14-36(15-23(22)12-25)28(38)27-19(2)33-17-34-20(27)3/h5-8,17-18,22-23,25-26H,9-16H2,1-4H3/t18-,22-,23+,25?,26-/m0/s1 DKLRSPPRSZUSAH-NZSQNRIKSA-N 50313873 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-((S)-4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)methanone::CHEMBL1077350 C-C chemokine receptor type 5 >500 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313873&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882070 104148234 CHEMBL1077350 ZINC49853693 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566053 COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C30H39F3N4O2/c1-19-9-10-34-21(3)28(19)29(38)36-16-23-13-26(14-24(23)17-36)35-11-12-37(20(2)15-35)27(18-39-4)22-5-7-25(8-6-22)30(31,32)33/h5-10,20,23-24,26-27H,11-18H2,1-4H3/t20-,23-,24+,26?,27-/m0/s1 NZESJOKORMSILA-ZARYIDLBSA-N 50313874 (2,4-dimethylpyridin-3-yl)((3aR,6aS)-5-((S)-4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)methanone::CHEMBL1077351 C-C chemokine receptor type 5 >500 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882071 104148235 CHEMBL1077351 ZINC49780240 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566054 COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)c1ccc(cc1)C(F)(F)F InChI=1S/C31H38F3N5O2/c1-19-11-26(14-35)36-21(3)29(19)30(40)38-16-23-12-27(13-24(23)17-38)37-9-10-39(20(2)15-37)28(18-41-4)22-5-7-25(8-6-22)31(32,33)34/h5-8,11,20,23-24,27-28H,9-10,12-13,15-18H2,1-4H3/t20-,23-,24+,27?,28-/m0/s1 UIPCWPCYJAMQNJ-CVPZMFSKSA-N 50313875 5-((3aR,6aS)-5-((S)-4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)octahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1077352 C-C chemokine receptor type 5 >500 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313875&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882072 104148236 CHEMBL1077352 ZINC49853694 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566055 CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C31H40F3N5O2/c1-5-41-27-13-21-10-24(31(32,33)34)6-7-26(21)29(27)39-9-8-37(14-18(39)2)25-11-22-15-38(16-23(22)12-25)30(40)28-19(3)35-17-36-20(28)4/h6-7,10,17-18,22-23,25,27,29H,5,8-9,11-16H2,1-4H3/t18-,22-,23+,25?,27-,29-/m0/s1 YFGSQEFJCPERJH-HBDPTTFZSA-N 50313876 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-((S)-4-((1S,2S)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)methanone::CHEMBL1077353 C-C chemokine receptor type 5 92 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313876&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882073 104148237 CHEMBL1077353 ZINC49771148 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566056 CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C)C(F)(F)F InChI=1S/C32H41F3N4O2/c1-5-41-28-15-22-12-25(32(33,34)35)6-7-27(22)30(28)39-11-10-37(16-20(39)3)26-13-23-17-38(18-24(23)14-26)31(40)29-19(2)8-9-36-21(29)4/h6-9,12,20,23-24,26,28,30H,5,10-11,13-18H2,1-4H3/t20-,23-,24+,26?,28-,30-/m0/s1 ZVCWTGCCXHXVSG-SLZGBXGZSA-N 50313877 (2,4-dimethylpyridin-3-yl)((3aR,6aS)-5-((S)-4-((1S,2S)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)methanone::CHEMBL1077354 C-C chemokine receptor type 5 98 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313877&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882074 104148238 CHEMBL1077354 ZINC49780241 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566057 CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)C(F)(F)F InChI=1S/C33H40F3N5O2/c1-5-43-29-14-22-11-25(33(34,35)36)6-7-28(22)31(29)41-9-8-39(16-20(41)3)27-12-23-17-40(18-24(23)13-27)32(42)30-19(2)10-26(15-37)38-21(30)4/h6-7,10-11,20,23-24,27,29,31H,5,8-9,12-14,16-18H2,1-4H3/t20-,23-,24+,27?,29-,31-/m0/s1 ZGHUCNYSVRKAKH-ZIGCAOHRSA-N 50313878 5-((3aR,6aS)-5-((S)-4-((1S,2S)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)octahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1077355 C-C chemokine receptor type 5 45 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313878&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882075 104148239 CHEMBL1077355 ZINC49793592 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566058 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1 CXXVJZRGOOIVOD-SANMLTNESA-N 50310739 (S)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1078231 C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44555481 104145100 CHEMBL1078231 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566059 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C InChI=1S/C32H49N5O4/c1-4-5-6-27-20-37(17-24-7-13-40-14-8-24)31(39)41-32(27)9-11-35(12-10-32)28-15-25-18-36(19-26(25)16-28)30(38)29-22(2)33-21-34-23(29)3/h21,24-28H,4-20H2,1-3H3/t25-,26+,27-,28?/m0/s1 YAZJSBVHNKRUFQ-KSAQDQTQSA-N 50313879 (5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidine-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1077358 C-C chemokine receptor type 5 14 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313879&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882076 104148240 CHEMBL1077358 ZINC49777937 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566060 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N InChI=1S/C34H49N5O4/c1-4-5-6-28-22-39(19-25-7-13-42-14-8-25)33(41)43-34(28)9-11-37(12-10-34)30-16-26-20-38(21-27(26)17-30)32(40)31-23(2)15-29(18-35)36-24(31)3/h15,25-28,30H,4-14,16-17,19-22H2,1-3H3/t26-,27+,28-,30?/m0/s1 ZBPKKPLEISFHIZ-QTJAHOOZSA-N 50313880 5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)octahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1077359 C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313880&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882077 104148241 CHEMBL1077359 ZINC49867092 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566061 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)ncnc1C InChI=1S/C33H51N5O4/c1-5-6-7-28-21-37(18-25-8-14-41-15-9-25)31(40)42-33(28)10-12-38(13-11-33)32(4)16-26-19-36(20-27(26)17-32)30(39)29-23(2)34-22-35-24(29)3/h22,25-28H,5-21H2,1-4H3/t26-,27+,28-,32?/m0/s1 FKZHYKLECQCSAZ-MQFZPSJKSA-N 50313881 (5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidine-5-carbonyl)-5-methyloctahydrocyclopenta[c]pyrrol-5-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one::CHEMBL1077360 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313881&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882078 104148242 CHEMBL1077360 ZINC49777938 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566062 CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)cc(nc1C)C#N InChI=1S/C35H51N5O4/c1-5-6-7-29-23-39(20-26-8-14-43-15-9-26)33(42)44-35(29)10-12-40(13-11-35)34(4)17-27-21-38(22-28(27)18-34)32(41)31-24(2)16-30(19-36)37-25(31)3/h16,26-29H,5-15,17-18,20-23H2,1-4H3/t27-,28+,29-,34?/m0/s1 FFVDMIZCWCETSU-BDRHFOFLSA-N 50313882 5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)-5-methyloctahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1077361 C-C chemokine receptor type 5 61 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313882&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882079 104148243 CHEMBL1077361 ZINC49802144 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566063 CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OCC)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C InChI=1S/C35H55N5O4/c1-5-7-8-29-22-40(19-26-9-11-31(12-10-26)43-6-2)34(42)44-35(29)13-15-38(16-14-35)30-17-27-20-39(21-28(27)18-30)33(41)32-24(3)36-23-37-25(32)4/h23,26-31H,5-22H2,1-4H3/t26-,27-,28+,29-,30?,31-/m0/s1 WUFYAXDQCFEDPG-CXYSXKLLSA-N 50313883 CHEMBL1077362::trans-(5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidine-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)-3-((4-ethoxycyclohexyl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one C-C chemokine receptor type 5 44 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313883&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882080 104148244 CHEMBL1077362 ZINC49777939 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566064 CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OCC)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C InChI=1S/C36H56N4O4/c1-5-7-8-30-24-40(21-27-9-11-32(12-10-27)43-6-2)35(42)44-36(30)14-17-38(18-15-36)31-19-28-22-39(23-29(28)20-31)34(41)33-25(3)13-16-37-26(33)4/h13,16,27-32H,5-12,14-15,17-24H2,1-4H3/t27-,28-,29+,30-,31?,32-/m0/s1 FTNQMTQRSJDRIK-WLROMLMPSA-N 50313884 CHEMBL1077363::trans-(5S)-5-butyl-9-((3aR,6aS)-2-(2,4-dimethylnicotinoyl)octahydrocyclopenta[c]pyrrol-5-yl)-3-((4-ethoxycyclohexyl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one C-C chemokine receptor type 5 34 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313884&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882081 104148245 CHEMBL1077363 ZINC49771150 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566065 CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OC(C)C)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C InChI=1S/C36H57N5O4/c1-6-7-8-30-22-41(19-27-9-11-32(12-10-27)44-24(2)3)35(43)45-36(30)13-15-39(16-14-36)31-17-28-20-40(21-29(28)18-31)34(42)33-25(4)37-23-38-26(33)5/h23-24,27-32H,6-22H2,1-5H3/t27-,28-,29+,30-,31?,32-/m0/s1 JTBUHRUYGFDKGW-WLROMLMPSA-N 50313885 CHEMBL1077364::trans-(5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidine-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)-3-((4-isopropoxycyclohexyl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313885&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882082 104148246 CHEMBL1077364 ZINC49867125 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50566066 CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OC2CC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C InChI=1S/C36H55N5O4/c1-4-5-6-29-22-41(19-26-7-9-31(10-8-26)44-32-11-12-32)35(43)45-36(29)13-15-39(16-14-36)30-17-27-20-40(21-28(27)18-30)34(42)33-24(2)37-23-38-25(33)3/h23,26-32H,4-22H2,1-3H3/t26-,27-,28+,29-,30?,31-/m0/s1 LYAAJDWEBKWXCC-CXYSXKLLSA-N 50313886 CHEMBL1077365::trans-(5S)-5-butyl-3-((4-cyclopropoxycyclohexyl)methyl)-9-((3aR,6aS)-2-(4,6-dimethylpyrimidine-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2010.02.004 10.7270/Q25Q4W7T 20176481 Lemoine, RC; Petersen, AC; Setti, L; Chen, L; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50313886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50313886&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46882083 104148247 CHEMBL1077365 ZINC49774612 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50568235 COC(=O)[C@@H](CCN1[C@@H]2CC[C@@H]1CC(C2)n1c(C)nc2cccnc12)c1ccccc1 InChI=1S/C25H30N4O2/c1-17-27-23-9-6-13-26-24(23)29(17)21-15-19-10-11-20(16-21)28(19)14-12-22(25(30)31-2)18-7-4-3-5-8-18/h3-9,13,19-22H,10-12,14-16H2,1-2H3/t19-,20-,22+/m1/s1 MPNHDCJDAQDVGE-SJBKTWHCSA-N 50314722 CHEMBL1093331::endo-(S)-methyl 4-(3-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylbutanoate::exo-(S)-methyl 4-(3-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylbutanoate C-C chemokine receptor type 5 112 ChEMBL 10.1016/j.bmcl.2010.02.023 10.7270/Q2C53M0B 20207141 Zhang, HS; Feng, DZ; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314722&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46883951 104149083 CHEMBL1093331 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50568236 Cc1nc2cccnc2n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 InChI=1S/C31H34FN5O/c1-21-35-29-8-5-16-33-30(29)37(21)27-18-25-13-14-26(19-27)36(25)17-15-28(23-6-3-2-4-7-23)31(38)34-20-22-9-11-24(32)12-10-22/h2-12,16,25-28H,13-15,17-20H2,1H3,(H,34,38)/t25-,26-,28+/m1/s1 HUJMMKROGZIWHI-GTNKKZTPSA-N 50314723 CHEMBL1090041::endo-(S)-N-(4-fluorobenzyl)-4-(3-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylbutanamide::exo-(S)-N-(4-fluorobenzyl)-4-(3-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylbutanamide C-C chemokine receptor type 5 14.4 ChEMBL 10.1016/j.bmcl.2010.02.023 10.7270/Q2C53M0B 20207141 Zhang, HS; Feng, DZ; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314723&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46884014 104149084 CHEMBL1090041 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579367 CCO[C@H]1CC[C@H](CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1 InChI=1S/C36H52N6O3/c1-5-45-31-13-11-28(12-14-31)23-40-24-32(29-9-7-6-8-10-29)42(35(40)44)30-15-19-41(20-16-30)36(4)17-21-39(22-18-36)34(43)33-26(2)37-25-38-27(33)3/h6-10,25,28,30-32H,5,11-24H2,1-4H3/t28-,31-,32-/m0/s1 XDWQGHWYCJPLGB-MHDHXZMLSA-N 50319434 (R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-((trans-4-ethoxycyclohexyl)methyl)-4-phenylimidazolidin-2-one::CHEMBL1085223 C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319434&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25205923 104153795 CHEMBL1085223 ZINC49777153 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579368 CO[C@H]1CC[C@H](CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1 InChI=1S/C35H50N6O3/c1-25-32(26(2)37-24-36-25)33(42)38-20-16-35(3,17-21-38)40-18-14-29(15-19-40)41-31(28-8-6-5-7-9-28)23-39(34(41)43)22-27-10-12-30(44-4)13-11-27/h5-9,24,27,29-31H,10-23H2,1-4H3/t27-,30-,31-/m0/s1 NJZLCVZALWTNEZ-NAYUSWPISA-N 50319435 (R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-((trans-4-methoxycyclohexyl)methyl)-4-phenylimidazolidin-2-one::CHEMBL1085222 C-C chemokine receptor type 5 62 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319435&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890341 104153796 CHEMBL1085222 ZINC49793815 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579369 CNC(=O)N1CCC(CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1 InChI=1S/C35H50N8O3/c1-25-31(26(2)38-24-37-25)32(44)39-20-14-35(3,15-21-39)42-18-12-29(13-19-42)43-30(28-8-6-5-7-9-28)23-41(34(43)46)22-27-10-16-40(17-11-27)33(45)36-4/h5-9,24,27,29-30H,10-23H2,1-4H3,(H,36,45)/t30-/m0/s1 PEYUSKSYYONOAP-PMERELPUSA-N 50319436 (R)-4-((3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-2-oxo-4-phenylimidazolidin-1-yl)methyl)-N-methylpiperidine-1-carboxamide::CHEMBL1085221 C-C chemokine receptor type 5 32 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319436&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25206397 104153797 CHEMBL1085221 ZINC49775588 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579370 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCN(CC2)S(C)(=O)=O)C1=O)c1ccccc1 InChI=1S/C34H49N7O4S/c1-25-31(26(2)36-24-35-25)32(42)37-20-14-34(3,15-21-37)39-16-12-29(13-17-39)41-30(28-8-6-5-7-9-28)23-38(33(41)43)22-27-10-18-40(19-11-27)46(4,44)45/h5-9,24,27,29-30H,10-23H2,1-4H3/t30-/m0/s1 BFXOQLCQTRNAKB-PMERELPUSA-N 50319437 (R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-((1-(methylsulfonyl)piperidin-4-yl)methyl)-4-phenylimidazolidin-2-one::CHEMBL1085220 C-C chemokine receptor type 5 34 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319437&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25206227 104153798 CHEMBL1085220 ZINC49793756 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579371 CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N InChI=1S/C32H48N6O3/c1-5-6-7-28-22-37(26-10-18-41-19-11-26)31(40)38(28)27-8-14-36(15-9-27)32(4)12-16-35(17-13-32)30(39)29-23(2)20-25(21-33)34-24(29)3/h20,26-28H,5-19,22H2,1-4H3 QHLYRYUVLUPASE-UHFFFAOYSA-N 50319438 CHEMBL1085723::rac-5-(4-(5-butyl-2-oxo-3-(tetrahydro-2H-pyran-4-yl)imidazolidin-1-yl)-4'-methyl-1,4'-bipiperidine-1'-carbonyl)-4,6-dimethylpicolinonitrile C-C chemokine receptor type 5 65 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319438&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25205600 104153799 CHEMBL1085723 ZINC43202567 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579372 CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C30H48N6O3/c1-5-6-7-26-20-35(24-10-18-39-19-11-24)29(38)36(26)25-8-14-34(15-9-25)30(4)12-16-33(17-13-30)28(37)27-22(2)31-21-32-23(27)3/h21,24-26H,5-20H2,1-4H3 HWJLBUCAKPCIRM-UHFFFAOYSA-N 50319439 CHEMBL1082487::rac-4-butyl-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-(tetrahydro-2H-pyran-4-yl)imidazolidin-2-one C-C chemokine receptor type 5 84 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319439&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25205601 104153800 CHEMBL1082487 ZINC49047781 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579373 CCCCC1CN(CC2CCOCC2)C(=O)N1C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C31H50N6O3/c1-5-6-7-27-21-35(20-25-10-18-40-19-11-25)30(39)37(27)26-8-14-36(15-9-26)31(4)12-16-34(17-13-31)29(38)28-23(2)32-22-33-24(28)3/h22,25-27H,5-21H2,1-4H3 WWQMRSATUNQSKQ-UHFFFAOYSA-N 50319440 CHEMBL1083437::rac-4-butyl-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)imidazolidin-2-one C-C chemokine receptor type 5 43 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319440&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25205764 104153801 CHEMBL1083437 ZINC49777226 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579374 CCO[C@H]1CC[C@H](CN2C[C@@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)cc(nc3C)C#N)C2=O)c2ccccn2)CC1 InChI=1S/C37H51N7O3/c1-5-47-31-11-9-28(10-12-31)24-42-25-33(32-8-6-7-17-39-32)44(36(42)46)30-13-18-43(19-14-30)37(4)15-20-41(21-16-37)35(45)34-26(2)22-29(23-38)40-27(34)3/h6-8,17,22,28,30-31,33H,5,9-16,18-21,24-25H2,1-4H3/t28-,31-,33-/m1/s1 SWLYMHKXSNTLKZ-INJYMACJSA-N 50319441 5-(4-((R)-3-((trans-4-ethoxycyclohexyl)methyl)-2-oxo-5-(pyridin-2-yl)imidazolidin-1-yl)-4'-methyl-1,4'-bipiperidine-1'-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1085722 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319441&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890429 104153802 CHEMBL1085722 ZINC49777042 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579375 Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@H](CN(CC2CCOCC2)C1=O)c1ccccn1)C#N InChI=1S/C34H45N7O3/c1-24-20-27(21-35)37-25(2)31(24)32(42)38-16-11-34(3,12-17-38)40-14-7-28(8-15-40)41-30(29-6-4-5-13-36-29)23-39(33(41)43)22-26-9-18-44-19-10-26/h4-6,13,20,26,28,30H,7-12,14-19,22-23H2,1-3H3/t30-/m1/s1 MTYIHUHFILXRRS-SSEXGKCCSA-N 50319442 (R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-(pyridin-2-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)imidazolidin-1-yl)-1,4'-bipiperidine-1'-carbonyl)picolinonitrile::CHEMBL1085721 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319442&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890428 104153803 CHEMBL1085721 ZINC49777021 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579376 CN1C[C@H](N(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc(nc2C)C#N)C1=O)c1ccccc1 InChI=1S/C30H38N6O2/c1-21-18-24(19-31)32-22(2)27(21)28(37)34-16-12-30(3,13-17-34)35-14-10-25(11-15-35)36-26(20-33(4)29(36)38)23-8-6-5-7-9-23/h5-9,18,25-26H,10-17,20H2,1-4H3/t26-/m0/s1 UAQHXCHBMPJOKD-SANMLTNESA-N 50319443 (R)-4,6-dimethyl-5-(4'-methyl-4-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)-1,4'-bipiperidine-1'-carbonyl)picolinonitrile::CHEMBL1083126 C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319443&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890427 104153804 CHEMBL1083126 ZINC49045519 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579377 Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C[C@H]2CC[C@H](O)CC2)C1=O)c1ccccc1)C#N InChI=1S/C36H48N6O3/c1-25-21-29(22-37)38-26(2)33(25)34(44)39-19-15-36(3,16-20-39)41-17-13-30(14-18-41)42-32(28-7-5-4-6-8-28)24-40(35(42)45)23-27-9-11-31(43)12-10-27/h4-8,21,27,30-32,43H,9-20,23-24H2,1-3H3/t27-,31-,32-/m0/s1 IAGCLSUYXYTYDJ-GFLPGQDNSA-N 50319444 5-(4-((R)-3-((trans-4-hydroxycyclohexyl)methyl)-2-oxo-5-phenylimidazolidin-1-yl)-4'-methyl-1,4'-bipiperidine-1'-carbonyl)-4,6-dimethylpicolinonitrile::CHEMBL1085232 C-C chemokine receptor type 5 33 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319444&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890346 104153805 CHEMBL1085232 ZINC49793407 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579378 CNC(=O)N1CCC(CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)cc(nc3C)C#N)C2=O)c2ccccc2)CC1 InChI=1S/C37H50N8O3/c1-26-22-30(23-38)40-27(2)33(26)34(46)41-20-14-37(3,15-21-41)44-18-12-31(13-19-44)45-32(29-8-6-5-7-9-29)25-43(36(45)48)24-28-10-16-42(17-11-28)35(47)39-4/h5-9,22,28,31-32H,10-21,24-25H2,1-4H3,(H,39,47)/t32-/m0/s1 JIJRESHTPMIRAN-YTTGMZPUSA-N 50319445 (R)-4-((3-(1'-(6-cyano-2,4-dimethylnicotinoyl)-4'-methyl-1,4'-bipiperidin-4-yl)-2-oxo-4-phenylimidazolidin-1-yl)methyl)-N-methylpiperidine-1-carboxamide::CHEMBL1085217 C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319445&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890340 104153806 CHEMBL1085217 ZINC49777310 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579379 Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1)C#N InChI=1S/C34H44N6O3/c1-24-21-27(22-35)36-25(2)31(24)32(41)37-17-13-34(3,14-18-37)38-15-9-29(10-16-38)40-30(26-7-5-4-6-8-26)23-39(33(40)42)28-11-19-43-20-12-28/h4-8,21,28-30H,9-20,23H2,1-3H3/t30-/m0/s1 CAWUSVSAJWVLIE-PMERELPUSA-N 50319446 (R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-(tetrahydro-2H-pyran-4-yl)imidazolidin-1-yl)-1,4'-bipiperidine-1'-carbonyl)picolinonitrile::CHEMBL1085231 C-C chemokine receptor type 5 21 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319446&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25206070 104153807 CHEMBL1085231 ZINC49775644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579380 Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1)C#N InChI=1S/C35H46N6O3/c1-25-21-29(22-36)37-26(2)32(25)33(42)38-17-13-35(3,14-18-38)40-15-9-30(10-16-40)41-31(28-7-5-4-6-8-28)24-39(34(41)43)23-27-11-19-44-20-12-27/h4-8,21,27,30-31H,9-20,23-24H2,1-3H3/t31-/m0/s1 VCDAYNSEVSLHGF-HKBQPEDESA-N 50319447 (R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-((tetrahydro-2H-pyran-4-yl)methyl)imidazolidin-1-yl)-1,4'-bipiperidine-1'-carbonyl)picolinonitrile::CHEMBL1085225 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319447&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25205767 104153808 CHEMBL1085225 ZINC49777312 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579381 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C[C@H]2CC[C@H](O)CC2)C1=O)c1ccccc1 InChI=1S/C34H48N6O3/c1-24-31(25(2)36-23-35-24)32(42)37-19-15-34(3,16-20-37)39-17-13-28(14-18-39)40-30(27-7-5-4-6-8-27)22-38(33(40)43)21-26-9-11-29(41)12-10-26/h4-8,23,26,28-30,41H,9-22H2,1-3H3/t26-,29-,30-/m0/s1 QIFLDOWZTQMVPY-NSGJQZOKSA-N 50319448 (R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-((trans-4-hydroxycyclohexyl)methyl)-4-phenylimidazolidin-2-one::CHEMBL1085224 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319448&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890342 104153809 CHEMBL1085224 ZINC49777432 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579382 COC(=O)N1CCC(CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1 InChI=1S/C35H49N7O4/c1-25-31(26(2)37-24-36-25)32(43)38-20-14-35(3,15-21-38)41-18-12-29(13-19-41)42-30(28-8-6-5-7-9-28)23-40(33(42)44)22-27-10-16-39(17-11-27)34(45)46-4/h5-9,24,27,29-30H,10-23H2,1-4H3/t30-/m0/s1 HMSKCYWJITUINI-PMERELPUSA-N 50319449 (R)-methyl 4-((3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-2-oxo-4-phenylimidazolidin-1-yl)methyl)piperidine-1-carboxylate::CHEMBL1085219 C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319449&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25206071 104153810 CHEMBL1085219 ZINC49777311 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579383 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C32H44N6O3/c1-23-29(24(2)34-22-33-23)30(39)35-17-13-32(3,14-18-35)36-15-9-27(10-16-36)38-28(25-7-5-4-6-8-25)21-37(31(38)40)26-11-19-41-20-12-26/h4-8,22,26-28H,9-21H2,1-3H3/t28-/m0/s1 CAXOWROVDBCIRL-NDEPHWFRSA-N 50319450 (R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-4-phenyl-1-(tetrahydro-2H-pyran-4-yl)imidazolidin-2-one::CHEMBL1085218 C-C chemokine receptor type 5 90 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319450&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25206069 104153811 CHEMBL1085218 ZINC49777152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579384 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CCC2CCOCC2)C1=O)c1ccccc1 InChI=1S/C34H48N6O3/c1-25-31(26(2)36-24-35-25)32(41)37-19-14-34(3,15-20-37)39-17-10-29(11-18-39)40-30(28-7-5-4-6-8-28)23-38(33(40)42)16-9-27-12-21-43-22-13-27/h4-8,24,27,29-30H,9-23H2,1-3H3/t30-/m0/s1 FGJLSESRUCPLFO-PMERELPUSA-N 50319451 (R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-4-phenyl-1-(2-(tetrahydro-2H-pyran-4-yl)ethyl)imidazolidin-2-one::CHEMBL1085226 C-C chemokine receptor type 5 8 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319451&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890343 104153812 CHEMBL1085226 ZINC49793848 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579385 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@H](CN(CC2CCOCC2)C1=O)c1ccccc1 InChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3/t29-/m1/s1 LEIJVPCQIOHXMZ-GDLZYMKVSA-N 50319452 (S)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-4-phenyl-1-((tetrahydro-2H-pyran-4-yl)methyl)imidazolidin-2-one::CHEMBL1085230 C-C chemokine receptor type 5 >500 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319452&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890345 104153813 CHEMBL1085230 ZINC49777433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579386 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1 InChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3/t29-/m0/s1 LEIJVPCQIOHXMZ-LJAQVGFWSA-N 50319453 (R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-4-phenyl-1-((tetrahydro-2H-pyran-4-yl)methyl)imidazolidin-2-one::CHEMBL1085229 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319453&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25205766 104153814 CHEMBL1085229 ZINC49777209 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50579387 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@H](CN(CC2CCOCC2)C1=O)c1ccccc1 InChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3/t29-/m1/s1 LEIJVPCQIOHXMZ-GDLZYMKVSA-N 50319452 (S)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-4-phenyl-1-((tetrahydro-2H-pyran-4-yl)methyl)imidazolidin-2-one::CHEMBL1085230 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2010.04.077 10.7270/Q2FT8M63 20457517 Rotstein, DM; Gabriel, SD; Manser, N; Filonova, L; Padilla, F; Sankuratri, S; Ji, C; deRosier, A; Dioszegi, M; Heilek, G; Jekle, A; Weller, P; Berry, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50319452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50319452&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46890345 104153813 CHEMBL1085230 ZINC49777433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604981 CC(C)NC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 InChI=1S/C31H44N6O2/c1-21(2)34-31(39)36-14-10-25(11-15-36)28(24-8-6-5-7-9-24)12-13-35-16-26-18-37(19-27(26)17-35)30(38)29-22(3)32-20-33-23(29)4/h5-9,20-21,25-28H,10-19H2,1-4H3,(H,34,39)/t26-,27+,28? CARDPTQGMCTXQR-FITHBNAOSA-N 50329228 4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)-N-isopropylpiperidine-1-carboxamide::CHEMBL1270400 C-C chemokine receptor type 5 >5000 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329228&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52948248 123108343 CHEMBL1270400 ZINC64513917 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604982 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC(F)(F)F)CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H38F3N5O/c1-20-27(21(2)34-19-33-20)28(38)37-16-24-14-36(15-25(24)17-37)13-10-26(22-6-4-3-5-7-22)23-8-11-35(12-9-23)18-29(30,31)32/h3-7,19,23-26H,8-18H2,1-2H3/t24-,25+,26? RFNTZDWBOZXHTR-IQCGEYIDSA-N 50329229 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl-3-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1270493 C-C chemokine receptor type 5 34 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329229&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52945332 123108344 CHEMBL1270493 ZINC64528000 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604983 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC(F)F)CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H39F2N5O/c1-20-28(21(2)33-19-32-20)29(37)36-16-24-14-35(15-25(24)17-36)13-10-26(22-6-4-3-5-7-22)23-8-11-34(12-9-23)18-27(30)31/h3-7,19,23-27H,8-18H2,1-2H3/t24-,25+,26? IDSHXLDGGWIGBW-IQCGEYIDSA-N 50329230 ((3aR,6aS)-5-(3-(1-(2,2-difluoroethyl)piperidin-4-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1270594 C-C chemokine receptor type 5 137 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329230&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52942058 123108345 CHEMBL1270594 ZINC64746243 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604984 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC(F)F)CC3)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C29H38F3N5O/c1-19-28(20(2)34-18-33-19)29(38)37-15-23-13-36(14-24(23)16-37)11-8-26(22-4-3-5-25(30)12-22)21-6-9-35(10-7-21)17-27(31)32/h3-5,12,18,21,23-24,26-27H,6-11,13-17H2,1-2H3/t23-,24+,26? LLEJRCRDMYBLEH-MAOIWGCQSA-N 50329231 ((3aR,6aS)-5-(3-(1-(2,2-difluoroethyl)piperidin-4-yl)-3-(3-fluorophenyl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1270693 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329231&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944537 123108346 CHEMBL1270693 ZINC64513516 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604985 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC(F)F)CC3)c3cc(F)cc(F)c3)C[C@@H]2C1 InChI=1S/C29H37F4N5O/c1-18-28(19(2)35-17-34-18)29(39)38-14-22-12-37(13-23(22)15-38)8-5-26(21-9-24(30)11-25(31)10-21)20-3-6-36(7-4-20)16-27(32)33/h9-11,17,20,22-23,26-27H,3-8,12-16H2,1-2H3/t22-,23+,26? HIEMJINKLJLCCH-XZQOPNAISA-N 50329232 ((3aR,6aS)-5-(3-(1-(2,2-difluoroethyl)piperidin-4-yl)-3-(3,5-difluorophenyl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1270798 C-C chemokine receptor type 5 19 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329232&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52942071 123108347 CHEMBL1270798 ZINC64526361 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604986 COC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 InChI=1S/C29H39N5O3/c1-20-27(21(2)31-19-30-20)28(35)34-17-24-15-32(16-25(24)18-34)12-11-26(22-7-5-4-6-8-22)23-9-13-33(14-10-23)29(36)37-3/h4-8,19,23-26H,9-18H2,1-3H3/t24-,25+,26? IUENSEDRGKTRGA-IQCGEYIDSA-N 50329233 CHEMBL1270900::methyl 4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)piperidine-1-carboxylate C-C chemokine receptor type 5 744 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329233&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52942078 123108348 CHEMBL1270900 ZINC64513319 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604987 CC(C)S(=O)(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 InChI=1S/C30H43N5O3S/c1-21(2)39(37,38)35-14-10-25(11-15-35)28(24-8-6-5-7-9-24)12-13-33-16-26-18-34(19-27(26)17-33)30(36)29-22(3)31-20-32-23(29)4/h5-9,20-21,25-28H,10-19H2,1-4H3/t26-,27+,28? YWUQJCUUNVCNFS-FITHBNAOSA-N 50329234 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(isopropylsulfonyl)piperidin-4-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1271000 C-C chemokine receptor type 5 99 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329234&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52943283 123108349 CHEMBL1271000 ZINC64528055 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604988 CCC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 InChI=1S/C30H41N5O2/c1-4-28(36)34-14-10-24(11-15-34)27(23-8-6-5-7-9-23)12-13-33-16-25-18-35(19-26(25)17-33)30(37)29-21(2)31-20-32-22(29)3/h5-9,20,24-27H,4,10-19H2,1-3H3/t25-,26+,27? MLRSFEBXUGRGTR-ZVBBVAIHSA-N 50329235 1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)piperidin-1-yl)propan-1-one::CHEMBL1271107 C-C chemokine receptor type 5 >5000 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329235&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52946946 123108350 CHEMBL1271107 ZINC64539026 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604989 CC(C)C(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 InChI=1S/C31H43N5O2/c1-21(2)30(37)35-14-10-25(11-15-35)28(24-8-6-5-7-9-24)12-13-34-16-26-18-36(19-27(26)17-34)31(38)29-22(3)32-20-33-23(29)4/h5-9,20-21,25-28H,10-19H2,1-4H3/t26-,27+,28? YPOQZYAEUURBAA-FITHBNAOSA-N 50329236 1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)piperidin-1-yl)-2-methylpropan-1-one::CHEMBL1271207 C-C chemokine receptor type 5 >5000 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329236&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52946953 123108351 CHEMBL1271207 ZINC64746543 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604990 CC(C)CC(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 InChI=1S/C32H45N5O2/c1-22(2)16-30(38)36-14-10-26(11-15-36)29(25-8-6-5-7-9-25)12-13-35-17-27-19-37(20-28(27)18-35)32(39)31-23(3)33-21-34-24(31)4/h5-9,21-22,26-29H,10-20H2,1-4H3/t27-,28+,29? RABIKHKBVSVPHT-ULJKERAFSA-N 50329237 1-(4-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)piperidin-1-yl)-3-methylbutan-1-one::CHEMBL1271310 C-C chemokine receptor type 5 2819 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329237&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52948162 123108352 CHEMBL1271310 ZINC64513197 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604991 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(CC(F)(F)F)C3)c3ccccc3)C[C@@H]2C1 InChI=1S/C27H34F3N5O/c1-18-25(19(2)32-17-31-18)26(36)35-14-21-10-33(11-22(21)15-35)9-8-24(20-6-4-3-5-7-20)23-12-34(13-23)16-27(28,29)30/h3-7,17,21-24H,8-16H2,1-2H3/t21-,22+,24? KHJSAQHDNAQQMO-RIKCKFAHSA-N 50329238 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-phenyl-3-(1-(2,2,2-trifluoroethyl)azetidin-3-yl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1271418 C-C chemokine receptor type 5 >5000 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329238&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947741 123108353 CHEMBL1271418 ZINC64514066 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604992 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)C(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H41N5O2/c1-21-29(22(2)33-20-32-21)31(38)36-16-25-14-34(15-26(25)17-36)13-12-28(23-8-4-3-5-9-23)27-18-35(19-27)30(37)24-10-6-7-11-24/h3-5,8-9,20,24-28H,6-7,10-19H2,1-2H3/t25-,26+,28? MNBXERPIBNFJMW-XFAILSGYSA-N 50329239 ((3aR,6aS)-5-(3-(1-(cyclopentanecarbonyl)azetidin-3-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1269884 C-C chemokine receptor type 5 2832 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329239&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52949601 123108354 CHEMBL1269884 ZINC64527474 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604993 CC(C)CC(=O)N1CC(C1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 InChI=1S/C30H41N5O2/c1-20(2)12-28(36)34-17-26(18-34)27(23-8-6-5-7-9-23)10-11-33-13-24-15-35(16-25(24)14-33)30(37)29-21(3)31-19-32-22(29)4/h5-9,19-20,24-27H,10-18H2,1-4H3/t24-,25+,27? TWHQUHAKEQPJPV-YHQISMHQSA-N 50329240 1-(3-(3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)azetidin-1-yl)-3-methylbutan-1-one::CHEMBL1269992 C-C chemokine receptor type 5 >5000 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329240&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947100 123108355 CHEMBL1269992 ZINC64503962 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604994 CC(C)S(=O)(=O)N1CC(C1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccccc1 InChI=1S/C28H39N5O3S/c1-19(2)37(35,36)33-16-25(17-33)26(22-8-6-5-7-9-22)10-11-31-12-23-14-32(15-24(23)13-31)28(34)27-20(3)29-18-30-21(27)4/h5-9,18-19,23-26H,10-17H2,1-4H3/t23-,24+,26? DFPLYLKKYSEABD-MAOIWGCQSA-N 50329241 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-(3-(1-(isopropylsulfonyl)azetidin-3-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1270101 C-C chemokine receptor type 5 93 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329241&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947748 123108356 CHEMBL1270101 ZINC64528316 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604995 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(=O)(=O)C3CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C28H37N5O3S/c1-19-27(20(2)30-18-29-19)28(34)32-14-22-12-31(13-23(22)15-32)11-10-26(21-6-4-3-5-7-21)24-16-33(17-24)37(35,36)25-8-9-25/h3-7,18,22-26H,8-17H2,1-2H3/t22-,23+,26? NTTROUGKGFNVGR-XZQOPNAISA-N 50329242 ((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1270209 C-C chemokine receptor type 5 313 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329242&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944644 123108357 CHEMBL1270209 ZINC64526878 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604996 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(=O)(=O)C3CC3)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C28H36FN5O3S/c1-18-27(19(2)31-17-30-18)28(35)33-13-21-11-32(12-22(21)14-33)9-8-26(20-4-3-5-24(29)10-20)23-15-34(16-23)38(36,37)25-6-7-25/h3-5,10,17,21-23,25-26H,6-9,11-16H2,1-2H3/t21-,22+,26? QLVOILJNRVKKRP-KMXBQNHCSA-N 50329243 ((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3-yl)-3-(3-fluorophenyl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1270303 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329243&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947038 123108358 CHEMBL1270303 ZINC64512280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604997 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CN(C3)S(=O)(=O)C3CC3)c3cc(F)cc(F)c3)C[C@@H]2C1 InChI=1S/C28H35F2N5O3S/c1-17-27(18(2)32-16-31-17)28(36)34-12-20-10-33(11-21(20)13-34)6-5-26(19-7-23(29)9-24(30)8-19)22-14-35(15-22)39(37,38)25-3-4-25/h7-9,16,20-22,25-26H,3-6,10-15H2,1-2H3/t20-,21+,26? FCBWQXORDQYHFI-CPLAMXDQSA-N 50329244 ((3aR,6aS)-5-(3-(1-(cyclopropylsulfonyl)azetidin-3-yl)-3-(3,5-difluorophenyl)propyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4,6-dimethylpyrimidin-5-yl)methanone::CHEMBL1270401 C-C chemokine receptor type 5 63 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329244&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947044 123108359 CHEMBL1270401 ZINC64513922 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604998 Cc1cccc(Cl)c1S(=O)(=O)C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H38ClN3O5S2/c1-21-7-6-10-27(30)28(21)40(37,38)29(34)32-19-24-17-31(18-25(24)20-32)14-13-26(22-8-4-3-5-9-22)23-11-15-33(16-12-23)39(2,35)36/h3-10,23-26H,11-20H2,1-2H3/t24-,25+,26? DWWHWVCKVLLGRC-IQCGEYIDSA-N 50329253 (2-chloro-6-methylphenylsulfonyl)((3aR,6aS)-5-(3-(1-(methylsulfonyl)piperidin-4-yl)-3-phenylpropyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone::CHEMBL1269386 C-C chemokine receptor type 5 2173 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329253&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52949128 123108368 CHEMBL1269386 ZINC64512686 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50604999 CS(=O)(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)S(=O)(=O)c1ccc(cc1Cl)C#N)c1ccccc1 InChI=1S/C29H35ClN4O5S2/c1-40(36,37)34-13-9-23(10-14-34)26(22-5-3-2-4-6-22)11-12-32-17-24-19-33(20-25(24)18-32)29(35)41(38,39)28-8-7-21(16-31)15-27(28)30/h2-8,15,23-26H,9-14,17-20H2,1H3/t24-,25+,26? KNHCVYDKPHQRAR-IQCGEYIDSA-N 50329254 3-chloro-4-((3aR,6aS)-5-(3-(1-(methylsulfonyl)piperidin-4-yl)-3-phenylpropyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonylsulfonyl)benzonitrile::CHEMBL1269387 C-C chemokine receptor type 5 4123 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329254&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944231 123108369 CHEMBL1269387 ZINC64526599 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50605000 Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H39N3O5S/c1-20-15-27(33)37-21(2)28(20)29(34)31-18-24-16-30(17-25(24)19-31)12-11-26(22-7-5-4-6-8-22)23-9-13-32(14-10-23)38(3,35)36/h4-8,15,23-26H,9-14,16-19H2,1-3H3/t24-,25+,26? NTXQSFSEZXNHJY-IQCGEYIDSA-N 50329255 4,6-dimethyl-5-((3aR,6aS)-5-(3-(1-(methylsulfonyl)piperidin-4-yl)-3-phenylpropyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-2H-pyran-2-one::CHEMBL1271108 C-C chemokine receptor type 5 8 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329255&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52946506 123108370 CHEMBL1271108 ZINC64528437 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50605001 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CCC(C3CCN(CC3)S(C)(=O)=O)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C30H39N5O3S/c1-21-15-27(16-31)32-22(2)29(21)30(36)34-19-25-17-33(18-26(25)20-34)12-11-28(23-7-5-4-6-8-23)24-9-13-35(14-10-24)39(3,37)38/h4-8,15,24-26,28H,9-14,17-20H2,1-3H3/t25-,26+,28? RUGPFTCINDXZAE-XFAILSGYSA-N 50329256 4,6-dimethyl-5-((3aR,6aS)-5-(3-(1-(methylsulfonyl)piperidin-4-yl)-3-phenylpropyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)picolinonitrile::CHEMBL1271208 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/j.bmcl.2010.08.118 10.7270/Q29G5N1F 20855212 Wanner, J; Chen, L; Lemoine, RC; Kondru, R; Jekle, A; Heilek, G; deRosier, A; Ji, C; Berry, PW; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50329256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50329256&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52946954 123108371 CHEMBL1271208 ZINC64527716 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593074 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42N4O6/c1-2-18-36(32(39)43-23-25-12-14-30(15-13-25)37(41)42)29-16-19-34(20-17-29)21-28-22-35(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2/t28-,33-/m0/s1 JNSKQYZFEVKYDB-UVMMSNCQSA-N 50321682 CHEMBL1172035::nifeviroc C-C chemokine receptor type 5 2.9 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321682&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16663418 104143211 CHEMBL1172035 ZINC53295296 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593075 COc1cccc(c1)[C@@]1(O)CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1 InChI=1S/C34H44N4O7/c1-3-17-37(33(40)45-23-25-11-13-30(14-12-25)38(42)43)29-15-18-35(19-16-29)21-28-22-36(32(39)26-7-4-5-8-26)24-34(28,41)27-9-6-10-31(20-27)44-2/h3,6,9-14,20,26,28-29,41H,1,4-5,7-8,15-19,21-24H2,2H3/t28-,34-/m0/s1 ZBGSMTBXIWTIOV-GVYVVWIYSA-N 50325315 4-nitrobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-(3-methoxyphenyl)pyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1222765 C-C chemokine receptor type 5 318 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325315&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864967 117646636 CHEMBL1222765 ZINC58590557 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593076 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccc(F)cc1 InChI=1S/C33H41FN4O6/c1-2-17-37(32(40)44-22-24-7-13-30(14-8-24)38(42)43)29-15-18-35(19-16-29)20-27-21-36(31(39)25-5-3-4-6-25)23-33(27,41)26-9-11-28(34)12-10-26/h2,7-14,25,27,29,41H,1,3-6,15-23H2/t27-,33-/m0/s1 YHAXTDKIZOEFNO-CMVGPNDKSA-N 50325316 4-nitrobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1222766 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325316 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325316&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864968 117646637 CHEMBL1222766 ZINC58583529 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593077 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1cccc(F)c1 InChI=1S/C33H41FN4O6/c1-2-16-37(32(40)44-22-24-10-12-30(13-11-24)38(42)43)29-14-17-35(18-15-29)20-27-21-36(31(39)25-6-3-4-7-25)23-33(27,41)26-8-5-9-28(34)19-26/h2,5,8-13,19,25,27,29,41H,1,3-4,6-7,14-18,20-23H2/t27-,33-/m0/s1 RGZRUHNOAFJLNC-CMVGPNDKSA-N 50325317 4-nitrobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1222767 C-C chemokine receptor type 5 8.85 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325317&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864969 117646638 CHEMBL1222767 ZINC58583976 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593078 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1ccc(F)cc1 InChI=1S/C34H42F4N4O3/c1-2-17-42(32(44)39-20-24-7-9-27(10-8-24)34(36,37)38)30-15-18-40(19-16-30)21-28-22-41(31(43)25-5-3-4-6-25)23-33(28,45)26-11-13-29(35)14-12-26/h2,7-14,25,28,30,45H,1,3-6,15-23H2,(H,39,44)/t28-,33-/m0/s1 HPFFSZAQYZXAAC-UVMMSNCQSA-N 50325318 1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(4-(trifluoromethyl)benzyl)urea::CHEMBL1222768 C-C chemokine receptor type 5 38.3 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325318&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864970 117646639 CHEMBL1222768 ZINC58581092 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593079 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1cccc(F)c1 InChI=1S/C34H42F4N4O3/c1-2-16-42(32(44)39-20-24-10-12-26(13-11-24)34(36,37)38)30-14-17-40(18-15-30)21-28-22-41(31(43)25-6-3-4-7-25)23-33(28,45)27-8-5-9-29(35)19-27/h2,5,8-13,19,25,28,30,45H,1,3-4,6-7,14-18,20-23H2,(H,39,44)/t28-,33-/m0/s1 MMNCBABVQVGQEF-UVMMSNCQSA-N 50325319 1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(4-(trifluoromethyl)benzyl)urea::CHEMBL1222769 C-C chemokine receptor type 5 1.38 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325319&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864971 117646640 CHEMBL1222769 ZINC58583530 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593080 CNS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccc(F)cc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C34H45FN4O5S/c1-3-18-39(32(40)21-25-8-14-31(15-9-25)45(43,44)36-2)30-16-19-37(20-17-30)22-28-23-38(33(41)26-6-4-5-7-26)24-34(28,42)27-10-12-29(35)13-11-27/h3,8-15,26,28,30,36,42H,1,4-7,16-24H2,2H3/t28-,34-/m0/s1 VWFZQEZALJUOAZ-GVYVVWIYSA-N 50325320 CHEMBL1222770::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-(N-methylsulfamoyl)phenyl)acetamide C-C chemokine receptor type 5 11.17 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325320&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864972 117646641 CHEMBL1222770 ZINC58591630 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593081 CNS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3cccc(F)c3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C34H45FN4O5S/c1-3-17-39(32(40)20-25-11-13-31(14-12-25)45(43,44)36-2)30-15-18-37(19-16-30)22-28-23-38(33(41)26-7-4-5-8-26)24-34(28,42)27-9-6-10-29(35)21-27/h3,6,9-14,21,26,28,30,36,42H,1,4-5,7-8,15-20,22-24H2,2H3/t28-,34-/m0/s1 RZMGRJBVDVCQMQ-GVYVVWIYSA-N 50325321 CHEMBL1222771::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-(N-methylsulfamoyl)phenyl)acetamide C-C chemokine receptor type 5 2.98 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325321&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864973 117646642 CHEMBL1222771 ZINC58582617 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593082 O[C@@]1(CN(C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@@H](C2)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1cccc(F)c1 InChI=1S/C36H44F4N4O3/c1-2-16-43(34(46)41-20-24-10-12-26(13-11-24)36(38,39)40)32-18-30-14-15-31(19-32)44(30)22-28-21-42(33(45)25-6-3-4-7-25)23-35(28,47)27-8-5-9-29(37)17-27/h2,5,8-13,17,25,28,30-32,47H,1,3-4,6-7,14-16,18-23H2,(H,41,46)/t28-,30-,31+,32+,35+/m1/s1 WGGALJABDXBZJI-LLASVLJYSA-N 50325322 1-allyl-1-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)-3-(4-(trifluoromethyl)benzyl)urea::CHEMBL1222772 C-C chemokine receptor type 5 6.77 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325322&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864974 117646643 CHEMBL1222772 ZINC58575776 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593083 CN(C)S(=O)(=O)c1ccc(CNC(=O)N(CC=C)[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H]2CN(C[C@]2(O)c2cccc(F)c2)C(=O)C2CCCC2)cc1 InChI=1S/C37H50FN5O5S/c1-4-18-42(36(45)39-22-26-12-16-34(17-13-26)49(47,48)40(2)3)33-20-31-14-15-32(21-33)43(31)24-29-23-41(35(44)27-8-5-6-9-27)25-37(29,46)28-10-7-11-30(38)19-28/h4,7,10-13,16-17,19,27,29,31-33,46H,1,5-6,8-9,14-15,18,20-25H2,2-3H3,(H,39,45)/t29-,31-,32+,33+,37+/m1/s1 LFDYSTASJDWYLF-RHSPRFOHSA-N 50325323 4-((3-allyl-3-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)ureido)methyl)-N,N-dimethylbenzenesulfonamide::CHEMBL1222773 C-C chemokine receptor type 5 11.4 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325323&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864975 117646644 CHEMBL1222773 ZINC58575767 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593084 O[C@@]1(CN(C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@@H](C2)N(CC=C)C(=O)NCc1ccc(F)cc1)C(=O)C1CCCC1)c1cccc(F)c1 InChI=1S/C35H44F2N4O3/c1-2-16-40(34(43)38-20-24-10-12-28(36)13-11-24)32-18-30-14-15-31(19-32)41(30)22-27-21-39(33(42)25-6-3-4-7-25)23-35(27,44)26-8-5-9-29(37)17-26/h2,5,8-13,17,25,27,30-32,44H,1,3-4,6-7,14-16,18-23H2,(H,38,43)/t27-,30-,31+,32+,35+/m1/s1 JGKFTLRIOJCQTP-SDUKJWIDSA-N 50325324 1-allyl-1-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)-3-(4-fluorobenzyl)urea::CHEMBL1222774 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325324&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864976 117646645 CHEMBL1222774 ZINC58592647 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593085 CNS(=O)(=O)c1ccc(CNC(=O)N(CC=C)[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H]2CN(C[C@]2(O)c2cccc(F)c2)C(=O)C2CCCC2)cc1 InChI=1S/C36H48FN5O5S/c1-3-17-41(35(44)39-21-25-11-15-33(16-12-25)48(46,47)38-2)32-19-30-13-14-31(20-32)42(30)23-28-22-40(34(43)26-7-4-5-8-26)24-36(28,45)27-9-6-10-29(37)18-27/h3,6,9-12,15-16,18,26,28,30-32,38,45H,1,4-5,7-8,13-14,17,19-24H2,2H3,(H,39,44)/t28-,30-,31+,32+,36+/m1/s1 COYZVTCMRMFIAD-QNTQIPSWSA-N 50325325 4-((3-allyl-3-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)ureido)methyl)-N-methylbenzenesulfonamide::CHEMBL1222775 C-C chemokine receptor type 5 3.98 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325325&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864977 117646646 CHEMBL1222775 ZINC58575771 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593086 O[C@@]1(CN(C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@H](C2)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1cccc(F)c1 InChI=1S/C36H44F4N4O3/c1-2-16-43(34(46)41-20-24-10-12-26(13-11-24)36(38,39)40)32-18-30-14-15-31(19-32)44(30)22-28-21-42(33(45)25-6-3-4-7-25)23-35(28,47)27-8-5-9-29(37)17-27/h2,5,8-13,17,25,28,30-32,47H,1,3-4,6-7,14-16,18-23H2,(H,41,46)/t28-,30-,31+,32-,35+/m1/s1 WGGALJABDXBZJI-NBBABEDMSA-N 50325326 1-allyl-1-((1R,3R,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)-3-(4-(trifluoromethyl)benzyl)urea::CHEMBL1222776 C-C chemokine receptor type 5 14.3 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325326&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864974 117646647 CHEMBL1222776 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593087 CNS(=O)(=O)c1ccc(CNC(=O)N(CC=C)[C@H]2C[C@@H]3CC[C@H](C2)N3C[C@H]2CN(C[C@]2(O)c2cccc(F)c2)C(=O)C2CCCC2)cc1 InChI=1S/C36H48FN5O5S/c1-3-17-41(35(44)39-21-25-11-15-33(16-12-25)48(46,47)38-2)32-19-30-13-14-31(20-32)42(30)23-28-22-40(34(43)26-7-4-5-8-26)24-36(28,45)27-9-6-10-29(37)18-27/h3,6,9-12,15-16,18,26,28,30-32,38,45H,1,4-5,7-8,13-14,17,19-24H2,2H3,(H,39,44)/t28-,30-,31+,32-,36+/m1/s1 COYZVTCMRMFIAD-AXYILJFYSA-N 50325327 4-((3-allyl-3-((1R,3R,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)ureido)methyl)-N-methylbenzenesulfonamide::CHEMBL1222777 C-C chemokine receptor type 5 27.1 ChEMBL 10.1016/j.bmcl.2010.05.046 10.7270/Q2J67H49 20674358 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325327&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49864977 117646648 CHEMBL1222777 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50584364 COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2cccc3ccccc23)CC1 InChI=1S/C32H38N2O3/c1-37-31(36)32(23-24-9-3-2-4-10-24)18-21-34(22-19-32)20-17-29(33-30(35)26-13-7-14-26)28-16-8-12-25-11-5-6-15-27(25)28/h2-6,8-12,15-16,26,29H,7,13-14,17-23H2,1H3,(H,33,35)/t29-/m0/s1 VUJNAFHGPRIXFY-LJAQVGFWSA-N 50321719 CHEMBL1172070::Methyl-4-benzyl-1-((S)-3-(cyclobutanecarboxamido)-3-(naphthalen-4-yl)propyl)piperidine-4-carboxylate C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/j.ejmech.2010.03.003 10.7270/Q2FB5341 20347189 Fan, X; Zhang, HS; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321719&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46837556 104143248 CHEMBL1172070 ZINC53226712 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50584365 OCC1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(cc2)C(F)(F)F)CC1 InChI=1S/C28H35F3N2O2/c29-28(30,31)24-11-9-22(10-12-24)25(32-26(35)23-7-4-8-23)13-16-33-17-14-27(20-34,15-18-33)19-21-5-2-1-3-6-21/h1-3,5-6,9-12,23,25,34H,4,7-8,13-20H2,(H,32,35)/t25-/m0/s1 LCFYNQQFENYVJT-VWLOTQADSA-N 50321720 CHEMBL1170738::N-((S)-3-(4-benzyl-4-(hydroxymethyl)piperidin-1-yl)-1-(4-(trifluoromethyl)phenyl)propyl)cyclobutanecarboxamide C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/j.ejmech.2010.03.003 10.7270/Q2FB5341 20347189 Fan, X; Zhang, HS; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321720&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46837555 104143249 CHEMBL1170738 ZINC53293776 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50584366 COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(cc2)C(F)(F)F)CC1 InChI=1S/C29H35F3N2O3/c1-37-27(36)28(20-21-6-3-2-4-7-21)15-18-34(19-16-28)17-14-25(33-26(35)23-8-5-9-23)22-10-12-24(13-11-22)29(30,31)32/h2-4,6-7,10-13,23,25H,5,8-9,14-20H2,1H3,(H,33,35)/t25-/m0/s1 UBWCMWMCMLDEKJ-VWLOTQADSA-N 50321721 CHEMBL1170529::Methyl-4-benzyl-1-((S)-3-(cyclobutanecarboxamido)-3-(4-(trifluoromethyl)phenyl)propyl)piperidine-4-carboxylate C-C chemokine receptor type 5 10000 ChEMBL 10.1016/j.ejmech.2010.03.003 10.7270/Q2FB5341 20347189 Fan, X; Zhang, HS; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321721&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46837554 104143250 CHEMBL1170529 ZINC53294586 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50584367 CC(C)N(C(C)=O)c1ccc(cc1)N1CCN(CC[C@H](NC(=O)C2CCCCC2)c2ccc(cc2)C(F)(F)F)CC1 InChI=1S/C32H43F3N4O2/c1-23(2)39(24(3)40)29-15-13-28(14-16-29)38-21-19-37(20-22-38)18-17-30(36-31(41)26-7-5-4-6-8-26)25-9-11-27(12-10-25)32(33,34)35/h9-16,23,26,30H,4-8,17-22H2,1-3H3,(H,36,41)/t30-/m0/s1 NBGUQDBBLYVDDA-PMERELPUSA-N 50321722 CHEMBL1169745::N-((S)-1-(4-(trifluoromethyl)phenyl)-3-(4-(4-(isopropylamino)phenyl)piperazin-1-yl)propyl)cyclohexanecarboxamide C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/j.ejmech.2010.03.003 10.7270/Q2FB5341 20347189 Fan, X; Zhang, HS; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321722&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46837429 104143251 CHEMBL1169745 ZINC53294225 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50584368 CC(C)N(Cc1ccccc1)c1ccc(cc1)N1CCN(CC[C@H](NC(=O)C2CCCCC2)c2ccc(cc2)C(F)(F)F)CC1 InChI=1S/C37H47F3N4O/c1-28(2)44(27-29-9-5-3-6-10-29)34-19-17-33(18-20-34)43-25-23-42(24-26-43)22-21-35(41-36(45)31-11-7-4-8-12-31)30-13-15-32(16-14-30)37(38,39)40/h3,5-6,9-10,13-20,28,31,35H,4,7-8,11-12,21-27H2,1-2H3,(H,41,45)/t35-/m0/s1 NXOZYOOITBBZJZ-DHUJRADRSA-N 50321723 CHEMBL1170925::N-((S)-3-(4-(4-(N-benzyl-N-isopropylamino)phenyl)piperazin-1-yl)-1-(4-(trifluoromethyl)phenyl)propyl)cyclohexanecarboxamide C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/j.ejmech.2010.03.003 10.7270/Q2FB5341 20347189 Fan, X; Zhang, HS; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321723&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46837428 104143252 CHEMBL1170925 ZINC53294691 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50584369 Cc1nc2cccnc2n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)c1ccc(F)cc1)c1cccc2ccccc12 InChI=1S/C34H34FN5O/c1-22-37-32-10-5-18-36-33(32)40(22)28-20-26-15-16-27(21-28)39(26)19-17-31(38-34(41)24-11-13-25(35)14-12-24)30-9-4-7-23-6-2-3-8-29(23)30/h2-14,18,26-28,31H,15-17,19-21H2,1H3,(H,38,41)/t26-,27-,31+/m1/s1 BQDGAJWCSHNVOS-JFPMUIDKSA-N 50321724 CHEMBL1170923::endo-4-Fluoro-N-((S)-3-(3-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-(naphthalen-1-yl)propyl)benzamide C-C chemokine receptor type 5 10000 ChEMBL 10.1016/j.ejmech.2010.03.003 10.7270/Q2FB5341 20347189 Fan, X; Zhang, HS; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321724&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49797921 104143253 CHEMBL1170923 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50584370 CC(C)c1nnc(C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)COc1ccccc1)c1ccc(cc1)C(F)(F)F InChI=1S/C31H38F3N5O2/c1-20(2)30-37-36-21(3)39(30)26-17-24-13-14-25(18-26)38(24)16-15-28(22-9-11-23(12-10-22)31(32,33)34)35-29(40)19-41-27-7-5-4-6-8-27/h4-12,20,24-26,28H,13-19H2,1-3H3,(H,35,40)/t24-,25-,28+/m1/s1 WPMFDRILQMCTSY-SKVJQKLOSA-N 50321725 CHEMBL1170924::endo-N-((S)-1-(4-(Trifluoromethyl)phenyl)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)propyl)-2-phenoxyacetamide C-C chemokine receptor type 5 253 ChEMBL 10.1016/j.ejmech.2010.03.003 10.7270/Q2FB5341 20347189 Fan, X; Zhang, HS; Chen, L; Long, YQ Institute of Materia Medica http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321725&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49797922 104143254 CHEMBL1170924 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625045 CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C25H36F3N3O2/c1-18(2)24(9-6-21(17-24)29-20-7-14-33-15-8-20)23(32)31-12-10-30(11-13-31)22-5-3-4-19(16-22)25(26,27)28/h3-5,16,18,20-21,29H,6-15,17H2,1-2H3/t21-,24+/m1/s1 AOPWQMZXHFQASV-QPPBQGQZSA-N 50337602 ((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone::CHEMBL1683055 C-C chemokine receptor type 5 283 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337602&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11669935 125087704 CHEMBL1683055 ZINC38217336 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625046 CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21-,23+,25+/m1/s1 NMYCPGLFRHGTSV-ASASOQJESA-N 50337604 CHEMBL1683059::Cis-((1S,3R)-1-isopropyl-3-(3-methyl-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 77 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337604&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53318853 125087706 CHEMBL1683059 ZINC38270127 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625047 CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCOC[C@@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21+,23+,25-/m0/s1 NMYCPGLFRHGTSV-VUHNXCBZSA-N 50337605 CHEMBL1683060::Cis-((1S,3R)-1-isopropyl-3-(3-methyl-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 108 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337605&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53322809 125087707 CHEMBL1683060 ZINC38270130 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625048 CC(C)[C@@]1(CC[C@H](C1)N[C@H]1CCOC[C@@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21+,23-,25-/m0/s1 NMYCPGLFRHGTSV-PYTYSOFPSA-N 50337606 CHEMBL1683061::trans-((1S,3R)-1-isopropyl-3-(3-methyl-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 370 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337606&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53325385 125087708 CHEMBL1683061 ZINC38270128 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625049 CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCOC[C@H]1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C26H38F3N3O2/c1-18(2)25(9-7-21(16-25)30-23-8-14-34-17-19(23)3)24(33)32-12-10-31(11-13-32)22-6-4-5-20(15-22)26(27,28)29/h4-6,15,18-19,21,23,30H,7-14,16-17H2,1-3H3/t19-,21-,23-,25+/m1/s1 NMYCPGLFRHGTSV-YTAKYCMFSA-N 50337607 CHEMBL1683062::trans-((1S,3R)-1-isopropyl-3-(3-methyl-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337607&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53324139 125087709 CHEMBL1683062 ZINC38270129 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625050 CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22-,24+,26+/m1/s1 DNPRHSLKGYTIJX-GUAAGHCTSA-N 50337608 CHEMBL1683063::cis-((1S,3R)-3-(3-ethyl-tetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337608&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53321616 125087710 CHEMBL1683063 ZINC66073871 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625051 CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22+,24+,26-/m0/s1 DNPRHSLKGYTIJX-RXDHMRHRSA-N 50337609 CHEMBL1683064::cis-((1S,3R)-3-(3-ethyl-tetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 312 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337609&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53321482 125087711 CHEMBL1683064 ZINC66073887 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625052 CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22+,24-,26-/m0/s1 DNPRHSLKGYTIJX-YXOQKGKWSA-N 50337610 CHEMBL1683065::trans-((1S,3R)-3-(3-ethyl-tetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 546 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337610&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53324140 125087712 CHEMBL1683065 ZINC66073888 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625053 CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C27H40F3N3O2/c1-4-20-18-35-15-9-24(20)31-22-8-10-26(17-22,19(2)3)25(34)33-13-11-32(12-14-33)23-7-5-6-21(16-23)27(28,29)30/h5-7,16,19-20,22,24,31H,4,8-15,17-18H2,1-3H3/t20-,22-,24-,26+/m1/s1 DNPRHSLKGYTIJX-DFICYWPVSA-N 50337611 CHEMBL1683066::trans-((1S,3R)-3-(3-ethyl-tetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 1000 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337611&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53326700 125087713 CHEMBL1683066 ZINC66073889 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625054 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22+,23-,25+/m1/s1 VBMPRCMEFUCQPO-SJHORNLWSA-N 50337612 CHEMBL1683067::cis-((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337612&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53324304 125087714 CHEMBL1683067 ZINC34663234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625055 CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C26H38F3N3O3/c1-18(2)25(9-7-20(16-25)30-22-8-14-35-17-23(22)34-3)24(33)32-12-10-31(11-13-32)21-6-4-5-19(15-21)26(27,28)29/h4-6,15,18,20,22-23,30H,7-14,16-17H2,1-3H3/t20-,22-,23+,25+/m1/s1 VBMPRCMEFUCQPO-SRTADBNSSA-N 50337613 CHEMBL1683068::cis-((1S,3R)-1-isopropyl-3-(3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 204 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337613&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53326701 125087715 CHEMBL1683068 ZINC43103444 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625056 CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C27H40F3N3O3/c1-4-36-24-18-35-15-9-23(24)31-21-8-10-26(17-21,19(2)3)25(34)33-13-11-32(12-14-33)22-7-5-6-20(16-22)27(28,29)30/h5-7,16,19,21,23-24,31H,4,8-15,17-18H2,1-3H3/t21-,23+,24-,26+/m1/s1 PEFVTWREQBVUOK-JARJBNJMSA-N 50337614 CHEMBL1683069::cis-((1S,3R)-3-(3-ethoxy-tetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337614&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53321427 125087716 CHEMBL1683069 ZINC38228785 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625057 CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C27H40F3N3O3/c1-4-36-24-18-35-15-9-23(24)31-21-8-10-26(17-21,19(2)3)25(34)33-13-11-32(12-14-33)22-7-5-6-20(16-22)27(28,29)30/h5-7,16,19,21,23-24,31H,4,8-15,17-18H2,1-3H3/t21-,23-,24+,26+/m1/s1 PEFVTWREQBVUOK-BGGLGKGRSA-N 50337615 CHEMBL1683070::cis-((1S,3R)-3-(3-ethoxy-tetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 206 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337615&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53324141 125087717 CHEMBL1683070 ZINC66074403 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625058 COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C27H40F3N3O3/c1-19(2)26(9-7-22(16-26)31-24-8-14-36-18-20(24)17-35-3)25(34)33-12-10-32(11-13-33)23-6-4-5-21(15-23)27(28,29)30/h4-6,15,19-20,22,24,31H,7-14,16-18H2,1-3H3/t20-,22-,24+,26+/m1/s1 DSWXTSLXHOCGMH-GUAAGHCTSA-N 50337616 CHEMBL1683071::cis-((1S,3R)-1-isopropyl-3-(3-(methoxymethyl)-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 201 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337616&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53326702 125087718 CHEMBL1683071 ZINC34638266 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625059 COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F InChI=1S/C27H40F3N3O3/c1-19(2)26(9-7-22(16-26)31-24-8-14-36-18-20(24)17-35-3)25(34)33-12-10-32(11-13-33)23-6-4-5-21(15-23)27(28,29)30/h4-6,15,19-20,22,24,31H,7-14,16-18H2,1-3H3/t20-,22+,24+,26-/m0/s1 DSWXTSLXHOCGMH-RXDHMRHRSA-N 50337617 CHEMBL1683072::cis-((1S,3R)-1-isopropyl-3-(3-(methoxymethyl)-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone C-C chemokine receptor type 5 572 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337617&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53318854 125087719 CHEMBL1683072 ZINC34638263 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625060 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cccc(n1)C(F)(F)F InChI=1S/C25H37F3N4O3/c1-17(2)24(9-7-18(15-24)29-19-8-14-35-16-20(19)34-3)23(33)32-12-10-31(11-13-32)22-6-4-5-21(30-22)25(26,27)28/h4-6,17-20,29H,7-16H2,1-3H3/t18-,19+,20-,24+/m1/s1 MMFPYPNUFANCKT-ZSTWQFLISA-N 50337618 ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(6-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL1683073 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337618&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53325639 125087720 CHEMBL1683073 ZINC66074851 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625062 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F InChI=1S/C24H36F3N5O3/c1-16(2)23(7-4-17(14-23)29-18-6-13-35-15-19(18)34-3)21(33)31-9-11-32(12-10-31)22-28-8-5-20(30-22)24(25,26)27/h5,8,16-19,29H,4,6-7,9-15H2,1-3H3/t17-,18+,19-,23+/m1/s1 YJGRIVQJUHTIGN-KCESLBEFSA-N 50337620 ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyrimidin-2-yl)piperazin-1-yl)methanone::CHEMBL1683075 C-C chemokine receptor type 5 35 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337620&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53322810 125087722 CHEMBL1683075 ZINC35953254 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625063 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](CC(F)(F)F)(C1)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F InChI=1S/C24H32F6N4O3/c1-36-19-14-37-11-4-18(19)32-17-2-5-22(13-17,15-23(25,26)27)21(35)34-9-7-33(8-10-34)20-12-16(3-6-31-20)24(28,29)30/h3,6,12,17-19,32H,2,4-5,7-11,13-15H2,1H3/t17-,18+,19-,22+/m1/s1 WXRJQYAAIDCOMB-MOXWOTFGSA-N 50337634 ((1S,3R)-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL1683190 C-C chemokine receptor type 5 8.4 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337634&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53325460 125087736 CHEMBL1683190 ZINC66080384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50625075 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 DQWSENNLMPJNRJ-WHLIWEHUSA-N 50337619 ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::((3S,4S)-N-[(1R,3S)-3-isopropyl-3-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}carbonyl)cyclopentyl]-3-methoxytetrahydro-2H-pyran-4-amine::CHEMBL1683074 C-C chemokine receptor type 5 4.3 ChEMBL 10.1016/j.bmcl.2011.01.015 10.7270/Q22J6C4C 21295478 Zheng, C; Cao, G; Xia, M; Feng, H; Glenn, J; Anand, R; Zhang, K; Huang, T; Wang, A; Kong, L; Li, M; Galya, L; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Baribaud, F; Shin, N; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B; Xue, CB Incyte Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50337619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50337619&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992246 125087721 CHEMBL1683074 ZINC35873569 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621914 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 94 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621915 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621916 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1 WUTCDIFLPLKLBC-CLJLJLNGSA-N 50198939 (R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL559168 C-C chemokine receptor type 5 84 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16659334 104079717 CHEMBL559168 ZINC28817814 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621917 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1 KABRIFIVQZQNHA-FQLXRVMXSA-N 50198936 (R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536754 C-C chemokine receptor type 5 53 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728787 104079714 CHEMBL536754 C03491 ZINC28817819 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621918 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1 InChI=1S/C33H43N3O5/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-32(40)33(36)17-20-35(21-18-33)23-25-9-13-27(14-10-25)41-28-15-11-26(12-16-28)31(38)39/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,40)(H,38,39)/t29-/m0/s1 YTCAJFHLKWZALU-LJAQVGFWSA-N 50322288 4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)benzoic acid hydrochloride::CHEMBL1170878 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322288&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064283 104143817 CHEMBL1170878 ZINC53230198 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621919 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 34 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621920 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m1/s1 GWNOTCOIYUNTQP-WDYNHAJCSA-N 50336346 4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668020 C-C chemokine receptor type 5 44 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53324598 125086448 CHEMBL1668020 C03491 ZINC66074082 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621921 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m0/s1 GWNOTCOIYUNTQP-URLMMPGGSA-N 50336347 4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668021 C-C chemokine receptor type 5 470 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336347&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11947758 125086449 CHEMBL1668021 C03491 ZINC65731166 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50621922 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m0/s1 GWNOTCOIYUNTQP-VMPREFPWSA-N 50336348 4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668022 C-C chemokine receptor type 5 51 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320546 125086450 CHEMBL1668022 C03491 ZINC66079271 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610610 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(cc3)S(C)(=O)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H51ClF2N4O7S2/c1-6-19-48(39(50)55-28-29-10-12-33(13-11-29)56(5,51)52)32-14-20-46(21-15-32)22-16-41(30-8-7-9-31(43)25-30)17-23-47(24-18-41)38(49)34-26-37(36(44)27-35(34)42)57(53,54)45-40(2,3)4/h6-13,25-27,32,45H,1,14-24,28H2,2-5H3 KDFIICMZEQMNTJ-UHFFFAOYSA-N 50331638 4-(methylsulfonyl)benzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288876 C-C chemokine receptor type 5 17 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331638&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52943389 123110753 CHEMBL1288876 ZINC95544864 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610611 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(cc3)C#N)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H48ClF2N5O5S/c1-5-18-49(39(51)54-28-30-11-9-29(27-45)10-12-30)33-13-19-47(20-14-33)21-15-41(31-7-6-8-32(43)24-31)16-22-48(23-17-41)38(50)34-25-37(36(44)26-35(34)42)55(52,53)46-40(2,3)4/h5-12,24-26,33,46H,1,13-23,28H2,2-4H3 AZQCDWRVDDHOEL-UHFFFAOYSA-N 50331639 4-cyanobenzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288877 C-C chemokine receptor type 5 4.5 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331639&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52943390 123110754 CHEMBL1288877 ZINC95544865 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610612 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(OC(F)(F)F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H48ClF5N4O6S/c1-5-18-51(38(53)56-27-28-9-11-32(12-10-28)57-41(45,46)47)31-13-19-49(20-14-31)21-15-40(29-7-6-8-30(43)24-29)16-22-50(23-17-40)37(52)33-25-36(35(44)26-34(33)42)58(54,55)48-39(2,3)4/h5-12,24-26,31,48H,1,13-23,27H2,2-4H3 PVSVBLGIVGUDHU-UHFFFAOYSA-N 50331640 4-(trifluoromethoxy)benzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288878 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331640&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52949523 123110755 CHEMBL1288878 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610613 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(cc3)C(F)(F)F)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H47ClF5N5O4S/c1-5-18-51(37(53)47-30-11-9-27(10-12-30)40(44,45)46)31-13-19-49(20-14-31)21-15-39(28-7-6-8-29(42)24-28)16-22-50(23-17-39)36(52)32-25-35(34(43)26-33(32)41)56(54,55)48-38(2,3)4/h5-12,24-26,31,48H,1,13-23H2,2-4H3,(H,47,53) HYXHVVTTXXLAPD-UHFFFAOYSA-N 50331641 5-(4-(2-(4-(1-allyl-3-(4-(trifluoromethyl)phenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288879 C-C chemokine receptor type 5 64 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331641&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947064 123110756 CHEMBL1288879 ZINC95544866 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610614 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)NCc3ccc(cc3)C(F)(F)F)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H49ClF5N5O4S/c1-5-18-52(38(54)48-27-28-9-11-29(12-10-28)41(45,46)47)32-13-19-50(20-14-32)21-15-40(30-7-6-8-31(43)24-30)16-22-51(23-17-40)37(53)33-25-36(35(44)26-34(33)42)57(55,56)49-39(2,3)4/h5-12,24-26,32,49H,1,13-23,27H2,2-4H3,(H,48,54) APZBZVHKLFMHLS-UHFFFAOYSA-N 50331642 5-(4-(2-(4-(1-allyl-3-(4-(trifluoromethyl)benzyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288880 C-C chemokine receptor type 5 6.9 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331642&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944587 123110757 CHEMBL1288880 ZINC95544901 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610615 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C39H47ClF3N5O4S/c1-5-18-48(37(50)44-30-11-9-28(41)10-12-30)31-13-19-46(20-14-31)21-15-39(27-7-6-8-29(42)24-27)16-22-47(23-17-39)36(49)32-25-35(34(43)26-33(32)40)53(51,52)45-38(2,3)4/h5-12,24-26,31,45H,1,13-23H2,2-4H3,(H,44,50) VCKUDWLBUQZBDQ-UHFFFAOYSA-N 50331643 5-(4-(2-(4-(1-allyl-3-(4-fluorophenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288909 C-C chemokine receptor type 5 34 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331643&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947090 123110758 CHEMBL1288909 ZINC95544871 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610616 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)NCc3ccc(F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H49ClF3N5O4S/c1-5-18-49(38(51)45-27-28-9-11-30(42)12-10-28)32-13-19-47(20-14-32)21-15-40(29-7-6-8-31(43)24-29)16-22-48(23-17-40)37(50)33-25-36(35(44)26-34(33)41)54(52,53)46-39(2,3)4/h5-12,24-26,32,46H,1,13-23,27H2,2-4H3,(H,45,51) LFHKWTOUOBLZRV-UHFFFAOYSA-N 50331644 5-(4-(2-(4-(1-allyl-3-(4-fluorobenzyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288910 C-C chemokine receptor type 5 46 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331644&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944086 123110759 CHEMBL1288910 ZINC95544872 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610617 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(cc3)C#N)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H47ClF2N6O4S/c1-5-18-49(38(51)45-31-11-9-28(27-44)10-12-31)32-13-19-47(20-14-32)21-15-40(29-7-6-8-30(42)24-29)16-22-48(23-17-40)37(50)33-25-36(35(43)26-34(33)41)54(52,53)46-39(2,3)4/h5-12,24-26,32,46H,1,13-23H2,2-4H3,(H,45,51) XYEPVVHWYTWZCA-UHFFFAOYSA-N 50331645 5-(4-(2-(4-(1-allyl-3-(4-cyanophenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288911 C-C chemokine receptor type 5 20.5 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331645&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52948295 123110760 CHEMBL1288911 ZINC95544903 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610618 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)NCc3ccc(cc3)C#N)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H49ClF2N6O4S/c1-5-18-50(39(52)46-28-30-11-9-29(27-45)10-12-30)33-13-19-48(20-14-33)21-15-41(31-7-6-8-32(43)24-31)16-22-49(23-17-41)38(51)34-25-37(36(44)26-35(34)42)55(53,54)47-40(2,3)4/h5-12,24-26,33,47H,1,13-23,28H2,2-4H3,(H,46,52) IFRMMJPUCQKGBK-UHFFFAOYSA-N 50331646 5-(4-(2-(4-(1-allyl-3-(4-cyanobenzyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288912 C-C chemokine receptor type 5 3.9 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331646&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947091 123110761 CHEMBL1288912 ZINC95544904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610619 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(cc3)S(C)(=O)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H50ClF2N5O6S2/c1-6-19-48(38(50)44-30-10-12-32(13-11-30)55(5,51)52)31-14-20-46(21-15-31)22-16-40(28-8-7-9-29(42)25-28)17-23-47(24-18-40)37(49)33-26-36(35(43)27-34(33)41)56(53,54)45-39(2,3)4/h6-13,25-27,31,45H,1,14-24H2,2-5H3,(H,44,50) ZGONSZXAEKVYEX-UHFFFAOYSA-N 50331647 5-(4-(2-(4-(1-allyl-3-(4-(methylsulfonyl)phenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288913 C-C chemokine receptor type 5 11.5 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331647&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52943424 123110762 CHEMBL1288913 ZINC95544906 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610620 COC(=O)c1ccc(CNC(=O)N(CC=C)C2CCN(CCC3(CCN(CC3)C(=O)c3cc(c(F)cc3Cl)S(=O)(=O)NC(C)(C)C)c3cccc(F)c3)CC2)cc1 InChI=1S/C42H52ClF2N5O6S/c1-6-19-50(40(53)46-28-29-10-12-30(13-11-29)39(52)56-5)33-14-20-48(21-15-33)22-16-42(31-8-7-9-32(44)25-31)17-23-49(24-18-42)38(51)34-26-37(36(45)27-35(34)43)57(54,55)47-41(2,3)4/h6-13,25-27,33,47H,1,14-24,28H2,2-5H3,(H,46,53) DGJOXPXKQXPVLK-UHFFFAOYSA-N 50331648 CHEMBL1288914::methyl 4-((3-allyl-3-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)ureido)methyl)benzoate C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331648&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944616 123110763 CHEMBL1288914 ZINC95544907 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610621 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)NCc3ccc(cc3)C(N)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H51ClF2N6O5S/c1-5-18-50(39(53)46-27-28-9-11-29(12-10-28)37(45)51)32-13-19-48(20-14-32)21-15-41(30-7-6-8-31(43)24-30)16-22-49(23-17-41)38(52)33-25-36(35(44)26-34(33)42)56(54,55)47-40(2,3)4/h5-12,24-26,32,47H,1,13-23,27H2,2-4H3,(H2,45,51)(H,46,53) HROBPSVSUBFHCQ-UHFFFAOYSA-N 50331649 4-((3-allyl-3-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)ureido)methyl)benzamide::CHEMBL1288915 C-C chemokine receptor type 5 3100 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331649&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52943425 123110764 CHEMBL1288915 ZINC95544842 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610622 CC(=O)Oc1ccc(NC(=O)N(CC=C)C2CCN(CCC3(CCN(CC3)C(=O)c3cc(c(F)cc3Cl)S(=O)(=O)NC(C)(C)C)c3cccc(F)c3)CC2)cc1 InChI=1S/C41H50ClF2N5O6S/c1-6-19-49(39(52)45-31-10-12-33(13-11-31)55-28(2)50)32-14-20-47(21-15-32)22-16-41(29-8-7-9-30(43)25-29)17-23-48(24-18-41)38(51)34-26-37(36(44)27-35(34)42)56(53,54)46-40(3,4)5/h6-13,25-27,32,46H,1,14-24H2,2-5H3,(H,45,52) UHBRCKZEFZHBHF-UHFFFAOYSA-N 50331650 4-(3-allyl-3-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)ureido)phenyl acetate::CHEMBL1288916 C-C chemokine receptor type 5 60 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331650&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944617 123110765 CHEMBL1288916 ZINC95544843 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610623 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(cc3)C(F)(F)F)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H48ClF5N4O4S/c1-5-18-51(37(52)24-28-9-11-29(12-10-28)41(45,46)47)32-13-19-49(20-14-32)21-15-40(30-7-6-8-31(43)25-30)16-22-50(23-17-40)38(53)33-26-36(35(44)27-34(33)42)56(54,55)48-39(2,3)4/h5-12,25-27,32,48H,1,13-24H2,2-4H3 VRFHJXIDGMXTSZ-UHFFFAOYSA-N 50331651 CHEMBL1288917::N-allyl-N-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)-2-(4-(trifluoromethyl)phenyl)acetamide C-C chemokine receptor type 5 3.3 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331651&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52941648 123110766 CHEMBL1288917 ZINC95544844 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610624 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H48ClF3N4O4S/c1-5-18-48(37(49)24-28-9-11-30(42)12-10-28)32-13-19-46(20-14-32)21-15-40(29-7-6-8-31(43)25-29)16-22-47(23-17-40)38(50)33-26-36(35(44)27-34(33)41)53(51,52)45-39(2,3)4/h5-12,25-27,32,45H,1,13-24H2,2-4H3 HOLOGRXWKROPFQ-UHFFFAOYSA-N 50331652 CHEMBL1288918::N-allyl-N-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)-2-(4-fluorophenyl)acetamide C-C chemokine receptor type 5 52 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331652&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52941008 123110767 CHEMBL1288918 ZINC95545343 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610625 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(cc3)S(C)(=O)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H51ClF2N4O6S2/c1-6-19-48(38(49)25-29-10-12-33(13-11-29)55(5,51)52)32-14-20-46(21-15-32)22-16-41(30-8-7-9-31(43)26-30)17-23-47(24-18-41)39(50)34-27-37(36(44)28-35(34)42)56(53,54)45-40(2,3)4/h6-13,26-28,32,45H,1,14-25H2,2-5H3 WNMZFHHBLYXUSV-UHFFFAOYSA-N 50331653 CHEMBL1288919::N-allyl-N-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide C-C chemokine receptor type 5 65 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331653&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52949553 123110768 CHEMBL1288919 ZINC95545345 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610626 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(OC(F)(F)F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H48ClF5N4O5S/c1-5-18-51(37(52)24-28-9-11-32(12-10-28)56-41(45,46)47)31-13-19-49(20-14-31)21-15-40(29-7-6-8-30(43)25-29)16-22-50(23-17-40)38(53)33-26-36(35(44)27-34(33)42)57(54,55)48-39(2,3)4/h5-12,25-27,31,48H,1,13-24H2,2-4H3 DECOIPDSXHSLKC-UHFFFAOYSA-N 50331654 CHEMBL1288920::N-allyl-N-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)-2-(4-(trifluoromethoxy)phenyl)acetamide C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331654&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52945865 123110769 CHEMBL1288920 ZINC95545346 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610627 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(cc3)C(N)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H50ClF2N5O5S/c1-5-18-49(37(50)24-28-9-11-29(12-10-28)38(45)51)32-13-19-47(20-14-32)21-15-41(30-7-6-8-31(43)25-30)16-22-48(23-17-41)39(52)33-26-36(35(44)27-34(33)42)55(53,54)46-40(2,3)4/h5-12,25-27,32,46H,1,13-24H2,2-4H3,(H2,45,51) SYLAELUHIQTVAM-UHFFFAOYSA-N 50331655 4-(2-(allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)amino)-2-oxoethyl)benzamide::CHEMBL1288921 C-C chemokine receptor type 5 210 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331655&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944618 123110770 CHEMBL1288921 ZINC95545347 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610628 CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)CCc3ccc(OC(F)(F)F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C39H44ClF5N4O5S/c1-3-18-49(36(50)12-9-27-7-10-31(11-8-27)54-39(43,44)45)30-13-19-47(20-14-30)21-15-38(28-5-4-6-29(41)24-28)16-22-48(23-17-38)37(51)32-25-35(55(52,53)46-2)34(42)26-33(32)40/h3-8,10-11,24-26,30,46H,1,9,12-23H2,2H3 QQEQAPDANFXSDU-UHFFFAOYSA-N 50331656 CHEMBL1288922::N-allyl-N-(1-(2-(1-(2-chloro-4-fluoro-5-(N-methylsulfamoyl)benzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)propanamide C-C chemokine receptor type 5 420 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331656&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52942223 123110771 CHEMBL1288922 ZINC95545349 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610629 CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)CCc3ccc(cc3)C#N)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C39H44ClF2N5O4S/c1-3-18-47(37(48)12-11-28-7-9-29(27-43)10-8-28)32-13-19-45(20-14-32)21-15-39(30-5-4-6-31(41)24-30)16-22-46(23-17-39)38(49)33-25-36(52(50,51)44-2)35(42)26-34(33)40/h3-10,24-26,32,44H,1,11-23H2,2H3 GEYMTAUFQWFXBC-UHFFFAOYSA-N 50331657 CHEMBL1288923::N-allyl-N-(1-(2-(1-(2-chloro-4-fluoro-5-(N-methylsulfamoyl)benzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)-3-(4-cyanophenyl)propanamide C-C chemokine receptor type 5 150 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331657&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52943426 123110772 CHEMBL1288923 ZINC95545353 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610630 CCCCN(C1CCN(CCC2(CCN(CC2)C(=O)c2cc(c(F)cc2Cl)S(=O)(=O)NC(C)(C)C)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N InChI=1S/C42H53ClF2N6O4S/c1-5-6-19-51(40(53)47-29-31-12-10-30(28-46)11-13-31)34-14-20-49(21-15-34)22-16-42(32-8-7-9-33(44)25-32)17-23-50(24-18-42)39(52)35-26-38(37(45)27-36(35)43)56(54,55)48-41(2,3)4/h7-13,25-27,34,48H,5-6,14-24,29H2,1-4H3,(H,47,53) VFBJZRYULVHBCK-UHFFFAOYSA-N 50331658 CHEMBL1288924::N-tert-butyl-5-(4-(2-(4-(1-butyl-3-(4-cyanobenzyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-4-chloro-2-fluorobenzenesulfonamide C-C chemokine receptor type 5 2.6 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331658&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52948296 123110773 CHEMBL1288924 ZINC95544834 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610631 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(C(=O)NCc3ccc(cc3)C#N)c3cccc(F)c3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C44H48ClF3N6O4S/c1-43(2,3)51-59(57,58)40-26-37(38(45)27-39(40)48)41(55)53-22-17-44(18-23-53,32-6-4-7-33(46)24-32)16-21-52-19-14-35(15-20-52)54(36-9-5-8-34(47)25-36)42(56)50-29-31-12-10-30(28-49)11-13-31/h4-13,24-27,35,51H,14-23,29H2,1-3H3,(H,50,56) JNBGDAWORQMCHG-UHFFFAOYSA-N 50331659 CHEMBL1288663::N-tert-butyl-4-chloro-5-(4-(2-(4-(3-(4-cyanobenzyl)-1-(3-fluorophenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-2-fluorobenzenesulfonamide C-C chemokine receptor type 5 0.4 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331659&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50915506 123110774 CHEMBL1288663 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610632 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(cc3)[N+]([O-])=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H48ClF2N5O7S/c1-5-18-47(38(50)55-27-28-9-11-32(12-10-28)48(51)52)31-13-19-45(20-14-31)21-15-40(29-7-6-8-30(42)24-29)16-22-46(23-17-40)37(49)33-25-36(35(43)26-34(33)41)56(53,54)44-39(2,3)4/h5-12,24-26,31,44H,1,13-23,27H2,2-4H3 OSBKTCVFAHBWDT-UHFFFAOYSA-N 50331660 4-nitrobenzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288872 C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331660&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52948264 123110775 CHEMBL1288872 ZINC95544822 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610633 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(cc3)C(F)(F)F)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H48ClF5N4O5S/c1-5-18-51(38(53)56-27-28-9-11-29(12-10-28)41(45,46)47)32-13-19-49(20-14-32)21-15-40(30-7-6-8-31(43)24-30)16-22-50(23-17-40)37(52)33-25-36(35(44)26-34(33)42)57(54,55)48-39(2,3)4/h5-12,24-26,32,48H,1,13-23,27H2,2-4H3 XAVAKXBHLNLEGI-UHFFFAOYSA-N 50331661 4-(trifluoromethyl)benzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288873 C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331661&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944586 123110776 CHEMBL1288873 ZINC95544823 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610634 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(cc3)S(C)(=O)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H51ClF2N4O7S2/c1-6-19-48(39(50)55-28-29-10-12-33(13-11-29)56(5,51)52)32-14-20-46(21-15-32)22-16-41(30-8-7-9-31(43)25-30)17-23-47(24-18-41)38(49)34-26-37(36(44)27-35(34)42)57(53,54)45-40(2,3)4/h6-13,25-27,32,45H,1,14-24,28H2,2-5H3 KDFIICMZEQMNTJ-UHFFFAOYSA-N 50331638 4-(methylsulfonyl)benzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288876 C-C chemokine receptor type 5 4.5 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331638&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52943389 123110753 CHEMBL1288876 ZINC95544864 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610635 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)NCc3ccc(cc3)C(F)(F)F)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H49ClF5N5O4S/c1-5-18-52(38(54)48-27-28-9-11-29(12-10-28)41(45,46)47)32-13-19-50(20-14-32)21-15-40(30-7-6-8-31(43)24-30)16-22-51(23-17-40)37(53)33-25-36(35(44)26-34(33)42)57(55,56)49-39(2,3)4/h5-12,24-26,32,49H,1,13-23,27H2,2-4H3,(H,48,54) APZBZVHKLFMHLS-UHFFFAOYSA-N 50331642 5-(4-(2-(4-(1-allyl-3-(4-(trifluoromethyl)benzyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288880 C-C chemokine receptor type 5 42 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331642&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944587 123110757 CHEMBL1288880 ZINC95544901 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610636 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(cc3)C#N)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H47ClF2N6O4S/c1-5-18-49(38(51)45-31-11-9-28(27-44)10-12-31)32-13-19-47(20-14-32)21-15-40(29-7-6-8-30(42)24-29)16-22-48(23-17-40)37(50)33-25-36(35(43)26-34(33)41)54(52,53)46-39(2,3)4/h5-12,24-26,32,46H,1,13-23H2,2-4H3,(H,45,51) XYEPVVHWYTWZCA-UHFFFAOYSA-N 50331645 5-(4-(2-(4-(1-allyl-3-(4-cyanophenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288911 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331645&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52948295 123110760 CHEMBL1288911 ZINC95544903 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610637 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)NCc3ccc(cc3)C#N)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H49ClF2N6O4S/c1-5-18-50(39(52)46-28-30-11-9-29(27-45)10-12-30)33-13-19-48(20-14-33)21-15-41(31-7-6-8-32(43)24-31)16-22-49(23-17-41)38(51)34-25-37(36(44)26-35(34)42)55(53,54)47-40(2,3)4/h5-12,24-26,33,47H,1,13-23,28H2,2-4H3,(H,46,52) IFRMMJPUCQKGBK-UHFFFAOYSA-N 50331646 5-(4-(2-(4-(1-allyl-3-(4-cyanobenzyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288912 C-C chemokine receptor type 5 3.7 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331646&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947091 123110761 CHEMBL1288912 ZINC95544904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610638 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(cc3)S(C)(=O)=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H50ClF2N5O6S2/c1-6-19-48(38(50)44-30-10-12-32(13-11-30)55(5,51)52)31-14-20-46(21-15-31)22-16-40(28-8-7-9-29(42)25-28)17-23-47(24-18-40)37(49)33-26-36(35(43)27-34(33)41)56(53,54)45-39(2,3)4/h6-13,25-27,31,45H,1,14-24H2,2-5H3,(H,44,50) ZGONSZXAEKVYEX-UHFFFAOYSA-N 50331647 5-(4-(2-(4-(1-allyl-3-(4-(methylsulfonyl)phenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide::CHEMBL1288913 C-C chemokine receptor type 5 35 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331647&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52943424 123110762 CHEMBL1288913 ZINC95544906 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610639 COC(=O)c1ccc(CNC(=O)N(CC=C)C2CCN(CCC3(CCN(CC3)C(=O)c3cc(c(F)cc3Cl)S(=O)(=O)NC(C)(C)C)c3cccc(F)c3)CC2)cc1 InChI=1S/C42H52ClF2N5O6S/c1-6-19-50(40(53)46-28-29-10-12-30(13-11-29)39(52)56-5)33-14-20-48(21-15-33)22-16-42(31-8-7-9-32(44)25-31)17-23-49(24-18-42)38(51)34-26-37(36(45)27-35(34)43)57(54,55)47-41(2,3)4/h6-13,25-27,33,47H,1,14-24,28H2,2-5H3,(H,46,53) DGJOXPXKQXPVLK-UHFFFAOYSA-N 50331648 CHEMBL1288914::methyl 4-((3-allyl-3-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)ureido)methyl)benzoate C-C chemokine receptor type 5 146 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331648&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944616 123110763 CHEMBL1288914 ZINC95544907 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610640 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(cc3)C(F)(F)F)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H48ClF5N4O4S/c1-5-18-51(37(52)24-28-9-11-29(12-10-28)41(45,46)47)32-13-19-49(20-14-32)21-15-40(30-7-6-8-31(43)25-30)16-22-50(23-17-40)38(53)33-26-36(35(44)27-34(33)42)56(54,55)48-39(2,3)4/h5-12,25-27,32,48H,1,13-24H2,2-4H3 VRFHJXIDGMXTSZ-UHFFFAOYSA-N 50331651 CHEMBL1288917::N-allyl-N-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)-2-(4-(trifluoromethyl)phenyl)acetamide C-C chemokine receptor type 5 53 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331651&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52941648 123110766 CHEMBL1288917 ZINC95544844 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610641 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Cc3ccc(OC(F)(F)F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H48ClF5N4O5S/c1-5-18-51(37(52)24-28-9-11-32(12-10-28)56-41(45,46)47)31-13-19-49(20-14-31)21-15-40(29-7-6-8-30(43)25-29)16-22-50(23-17-40)38(53)33-26-36(35(44)27-34(33)42)57(54,55)48-39(2,3)4/h5-12,25-27,31,48H,1,13-24H2,2-4H3 DECOIPDSXHSLKC-UHFFFAOYSA-N 50331654 CHEMBL1288920::N-allyl-N-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)-2-(4-(trifluoromethoxy)phenyl)acetamide C-C chemokine receptor type 5 87 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331654&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52945865 123110769 CHEMBL1288920 ZINC95545346 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610642 CCCCN(C1CCN(CCC2(CCN(CC2)C(=O)c2cc(c(F)cc2Cl)S(=O)(=O)NC(C)(C)C)c2cccc(F)c2)CC1)C(=O)NCc1ccc(cc1)C#N InChI=1S/C42H53ClF2N6O4S/c1-5-6-19-51(40(53)47-29-31-12-10-30(28-46)11-13-31)34-14-20-49(21-15-34)22-16-42(32-8-7-9-33(44)25-32)17-23-50(24-18-42)39(52)35-26-38(37(45)27-36(35)43)56(54,55)48-41(2,3)4/h7-13,25-27,34,48H,5-6,14-24,29H2,1-4H3,(H,47,53) VFBJZRYULVHBCK-UHFFFAOYSA-N 50331658 CHEMBL1288924::N-tert-butyl-5-(4-(2-(4-(1-butyl-3-(4-cyanobenzyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-4-chloro-2-fluorobenzenesulfonamide C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331658&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52948296 123110773 CHEMBL1288924 ZINC95544834 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610643 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(C(=O)NCc3ccc(cc3)C#N)c3cccc(F)c3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C44H48ClF3N6O4S/c1-43(2,3)51-59(57,58)40-26-37(38(45)27-39(40)48)41(55)53-22-17-44(18-23-53,32-6-4-7-33(46)24-32)16-21-52-19-14-35(15-20-52)54(36-9-5-8-34(47)25-36)42(56)50-29-31-12-10-30(28-49)11-13-31/h4-13,24-27,35,51H,14-23,29H2,1-3H3,(H,50,56) JNBGDAWORQMCHG-UHFFFAOYSA-N 50331659 CHEMBL1288663::N-tert-butyl-4-chloro-5-(4-(2-(4-(3-(4-cyanobenzyl)-1-(3-fluorophenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-2-fluorobenzenesulfonamide C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331659&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50915506 123110774 CHEMBL1288663 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610644 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(cc3)[N+]([O-])=O)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H48ClF2N5O7S/c1-5-18-47(38(50)55-27-28-9-11-32(12-10-28)48(51)52)31-13-19-45(20-14-31)21-15-40(29-7-6-8-30(42)24-29)16-22-46(23-17-40)37(49)33-25-36(35(43)26-34(33)41)56(53,54)44-39(2,3)4/h5-12,24-26,31,44H,1,13-23,27H2,2-4H3 OSBKTCVFAHBWDT-UHFFFAOYSA-N 50331660 4-nitrobenzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288872 C-C chemokine receptor type 5 8.6 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331660&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52948264 123110775 CHEMBL1288872 ZINC95544822 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610645 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(cc3)C(F)(F)F)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C41H48ClF5N4O5S/c1-5-18-51(38(53)56-27-28-9-11-29(12-10-28)41(45,46)47)32-13-19-49(20-14-32)21-15-40(30-7-6-8-31(43)24-30)16-22-50(23-17-40)37(52)33-25-36(35(44)26-34(33)42)57(54,55)48-39(2,3)4/h5-12,24-26,32,48H,1,13-23,27H2,2-4H3 XAVAKXBHLNLEGI-UHFFFAOYSA-N 50331661 4-(trifluoromethyl)benzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288873 C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331661&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52944586 123110776 CHEMBL1288873 ZINC95544823 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610646 CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F InChI=1S/C40H48ClF3N4O5S/c1-5-18-48(38(50)53-27-28-9-11-30(42)12-10-28)32-13-19-46(20-14-32)21-15-40(29-7-6-8-31(43)24-29)16-22-47(23-17-40)37(49)33-25-36(35(44)26-34(33)41)54(51,52)45-39(2,3)4/h5-12,24-26,32,45H,1,13-23,27H2,2-4H3 ZCMLFWNNIBNHTF-UHFFFAOYSA-N 50331662 4-fluorobenzyl allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamate::CHEMBL1288874 C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331662&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52947063 123110777 CHEMBL1288874 ZINC95544828 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50610647 COC(=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC3(CCN(CC3)C(=O)c3cc(c(F)cc3Cl)S(=O)(=O)NC(C)(C)C)c3cccc(F)c3)CC2)cc1 InChI=1S/C42H51ClF2N4O7S/c1-6-19-49(40(52)56-28-29-10-12-30(13-11-29)39(51)55-5)33-14-20-47(21-15-33)22-16-42(31-8-7-9-32(44)25-31)17-23-48(24-18-42)38(50)34-26-37(36(45)27-35(34)43)57(53,54)46-41(2,3)4/h6-13,25-27,33,46H,1,14-24,28H2,2-5H3 CXTYCVTVZHPFQN-UHFFFAOYSA-N 50331663 CHEMBL1288875::methyl 4-((allyl(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)carbamoyloxy)methyl)benzoate C-C chemokine receptor type 5 41 ChEMBL 10.1016/j.bmcl.2010.10.033 10.7270/Q27081P6 21035337 Duan, M; Peckham, J; Edelstein, M; Ferris, R; Kazmierski, WM; Spaltenstein, A; Wheelan, P; Xiong, Z GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50331663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50331663&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52940989 123110778 CHEMBL1288875 ZINC95544830 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628084 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1 CNPVJJQCETWNEU-CYFREDJKSA-N 50145685 (4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL82301 C-C chemokine receptor type 5 3 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009355 104034374 CHEMBL82301 807 ZINC22010579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628085 C[C@H]1CN(CCN1C1CCc2cc(Br)ccc12)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C27H36BrN5O/c1-18-16-32(13-14-33(18)24-8-5-21-15-22(28)6-7-23(21)24)27(4)9-11-31(12-10-27)26(34)25-19(2)29-17-30-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1 QMJHLHFALIYCPJ-VEXWJQHLSA-N 50339029 5-({4-[(3S)-4-(5-Bromo-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}carbonyl)-4,6-dimethylpyrimidine::CHEMBL1688239 C-C chemokine receptor type 5 3.9 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339029&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11353001 125089131 CHEMBL1688239 ZINC34495709 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628086 C[C@H]1CN(CCN1C1CCc2cc(Br)ccc12)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C27H36BrN5O/c1-18-16-32(13-14-33(18)24-8-5-21-15-22(28)6-7-23(21)24)27(4)9-11-31(12-10-27)26(34)25-19(2)29-17-30-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1 QMJHLHFALIYCPJ-VEXWJQHLSA-N 50339029 5-({4-[(3S)-4-(5-Bromo-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}carbonyl)-4,6-dimethylpyrimidine::CHEMBL1688239 C-C chemokine receptor type 5 3.90 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339029&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11353001 125089131 CHEMBL1688239 ZINC34495709 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628087 C[C@H]1CN(CCN1C1CCc2cc(ccc12)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C28H36F3N5O/c1-18-16-35(13-14-36(18)24-8-5-21-15-22(28(29,30)31)6-7-23(21)24)27(4)9-11-34(12-10-27)26(37)25-19(2)32-17-33-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1 SARHRNVKZXZFIW-VEXWJQHLSA-N 50339030 4,6-Dimethyl-5-[(4-methyl-4-{(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl}piperidin-1-yl)carbonyl]pyrimidine::CHEMBL1688240 C-C chemokine receptor type 5 5 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339030&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11605997 125089132 CHEMBL1688240 ZINC35923263 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628088 C[C@H]1CN(CCN1[C@H]1[C@H](O)Cc2cc(ccc12)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C28H36F3N5O2/c1-17-15-35(27(4)7-9-34(10-8-27)26(38)24-18(2)32-16-33-19(24)3)11-12-36(17)25-22-6-5-21(28(29,30)31)13-20(22)14-23(25)37/h5-6,13,16-17,23,25,37H,7-12,14-15H2,1-4H3/t17-,23+,25+/m0/s1 YUVBUIGMINTUIE-FIMBPPNMSA-N 50339031 5-[(4-(3S)-4-[(1R,2R)-2-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688241 C-C chemokine receptor type 5 211 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339031&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53325088 125089133 CHEMBL1688241 ZINC66124598 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628089 CO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C29H38F3N5O2/c1-18-16-36(28(4)8-10-35(11-9-28)27(38)25-19(2)33-17-34-20(25)3)12-13-37(18)26-23-7-6-22(29(30,31)32)14-21(23)15-24(26)39-5/h6-7,14,17-18,24,26H,8-13,15-16H2,1-5H3/t18-,24+,26+/m0/s1 NLPKHHZDESNXNS-GJECAEJISA-N 50339032 5-[(4-(3S)-4-[(1R,2R)-2-methoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688242 C-C chemokine receptor type 5 4.6 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339032&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53319838 125089134 CHEMBL1688242 ZINC66128572 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628090 CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1 ZMCJFJZOSKEMOM-DNKZPPIMSA-N 50339033 5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688243 C-C chemokine receptor type 5 6.5 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49871007 125089135 CHEMBL1688243 ZINC43171152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628091 C[C@H]1CN(CCN1[C@@H]1[C@@H](O)Cc2cc(ccc12)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C28H36F3N5O2/c1-17-15-35(27(4)7-9-34(10-8-27)26(38)24-18(2)32-16-33-19(24)3)11-12-36(17)25-22-6-5-21(28(29,30)31)13-20(22)14-23(25)37/h5-6,13,16-17,23,25,37H,7-12,14-15H2,1-4H3/t17-,23-,25-/m0/s1 YUVBUIGMINTUIE-XPEQFSOGSA-N 50339034 (4,6-dimethylpyrimidin-5-yl)(4-((S)-4-((1S,2S)-2-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL1688244 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339034&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53319839 125089136 CHEMBL1688244 ZINC66101363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628092 CO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C29H38F3N5O2/c1-18-16-36(28(4)8-10-35(11-9-28)27(38)25-19(2)33-17-34-20(25)3)12-13-37(18)26-23-7-6-22(29(30,31)32)14-21(23)15-24(26)39-5/h6-7,14,17-18,24,26H,8-13,15-16H2,1-5H3/t18-,24-,26-/m0/s1 NLPKHHZDESNXNS-SQOVJYTMSA-N 50339035 (4,6-dimethylpyrimidin-5-yl)(4-((S)-4-((1S,2S)-2-methoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL1687948 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339035&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53317132 125089137 CHEMBL1687948 ZINC66101366 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628093 CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25-,27-/m0/s1 ZMCJFJZOSKEMOM-BYGVMDBSSA-N 50339036 (4,6-dimethylpyrimidin-5-yl)(4-((S)-4-((1S,2S)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL1688245 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339036&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53323818 125089138 CHEMBL1688245 ZINC66101368 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628094 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1 CNPVJJQCETWNEU-CYFREDJKSA-N 50145685 (4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL82301 C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009355 104034374 CHEMBL82301 807 ZINC22010579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628095 C[C@H]1CN(CCN1C1CCc2cc(Br)ccc12)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C27H36BrN5O/c1-18-16-32(13-14-33(18)24-8-5-21-15-22(28)6-7-23(21)24)27(4)9-11-31(12-10-27)26(34)25-19(2)29-17-30-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1 QMJHLHFALIYCPJ-VEXWJQHLSA-N 50339029 5-({4-[(3S)-4-(5-Bromo-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}carbonyl)-4,6-dimethylpyrimidine::CHEMBL1688239 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339029&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11353001 125089131 CHEMBL1688239 ZINC34495709 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628096 C[C@H]1CN(CCN1C1CCc2cc(ccc12)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C InChI=1S/C28H36F3N5O/c1-18-16-35(13-14-36(18)24-8-5-21-15-22(28(29,30)31)6-7-23(21)24)27(4)9-11-34(12-10-27)26(37)25-19(2)32-17-33-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1 SARHRNVKZXZFIW-VEXWJQHLSA-N 50339030 4,6-Dimethyl-5-[(4-methyl-4-{(3S)-3-methyl-4-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl}piperidin-1-yl)carbonyl]pyrimidine::CHEMBL1688240 C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339030&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11605997 125089132 CHEMBL1688240 ZINC35923263 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628097 CO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C29H38F3N5O2/c1-18-16-36(28(4)8-10-35(11-9-28)27(38)25-19(2)33-17-34-20(25)3)12-13-37(18)26-23-7-6-22(29(30,31)32)14-21(23)15-24(26)39-5/h6-7,14,17-18,24,26H,8-13,15-16H2,1-5H3/t18-,24+,26+/m0/s1 NLPKHHZDESNXNS-GJECAEJISA-N 50339032 5-[(4-(3S)-4-[(1R,2R)-2-methoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688242 C-C chemokine receptor type 5 3.5 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339032&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53319838 125089134 CHEMBL1688242 ZINC66128572 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628098 CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1 ZMCJFJZOSKEMOM-DNKZPPIMSA-N 50339033 5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688243 C-C chemokine receptor type 5 3 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49871007 125089135 CHEMBL1688243 ZINC43171152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628099 CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1 ZMCJFJZOSKEMOM-DNKZPPIMSA-N 50339033 5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688243 C-C chemokine receptor type 5 3.1 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49871007 125089135 CHEMBL1688243 ZINC43171152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628100 CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1 ZMCJFJZOSKEMOM-DNKZPPIMSA-N 50339033 5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688243 C-C chemokine receptor type 5 16 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49871007 125089135 CHEMBL1688243 ZINC43171152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628101 CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1 ZMCJFJZOSKEMOM-DNKZPPIMSA-N 50339033 5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688243 C-C chemokine receptor type 5 3 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49871007 125089135 CHEMBL1688243 ZINC43171152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50628102 CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1 ZMCJFJZOSKEMOM-DNKZPPIMSA-N 50339033 5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688243 C-C chemokine receptor type 5 1.5 ChEMBL 10.1021/ml1001536 10.7270/Q2SQ90PC 24900235 Xue, CB; Chen, L; Cao, G; Zhang, K; Wang, A; Meloni, D; Glenn, J; Anand, R; Xia, M; Kong, L; Huang, T; Feng, H; Zheng, C; Li, M; Galya, L; Zhou, J; Shin, N; Baribaud, F; Solomon, K; Scherle, P; Zhao, B; Diamond, S; Emm, T; Keller, D; Contel, N; Yeleswaram, S; Vaddi, K; Hollis, G; Newton, R; Friedman, S; Metcalf, B. TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49871007 125089135 CHEMBL1688243 ZINC43171152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630080 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 ZGDKVKUWTCGYOA-UHFFFAOYSA-N 50104931 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4''''-methyl-[1,4'''']bipiperidinyl-1''''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::3-(4-((4-bromophenyl)(ethoxyimino)methyl)-4''-methyl-1,4''-bipiperidine-1''-carbonyl)-1,2,4-trimethylpyridinium::CHEMBL336672::CHEMBL78535::SCH-351125::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574343 104000728 CHEMBL78535CHEMBL336672 802 ZINC03964224 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630081 CCO[N-][C+](C1CCN(CCCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1)c1ccc(Br)cc1 InChI=1S/C25H33BrN4O3/c1-4-33-28-24(20-6-8-22(26)9-7-20)21-11-15-29(16-12-21)14-5-13-27-25(31)23-18(2)10-17-30(32)19(23)3/h6-10,17,21H,4-5,11-16H2,1-3H3,(H,27,31) WOHAHAIFRBHKOX-UHFFFAOYSA-N 50339957 (E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)propylcarbamoyl)-2,4-dimethylpyridine 1-oxide::CHEMBL1762143 C-C chemokine receptor type 5 180 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54586286 131342893 CHEMBL1762143 ZINC71315904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630082 CCO[N-][C+](C1CCN(CC1)C(C)CNC(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C25H33BrN4O3/c1-5-33-28-24(20-6-8-22(26)9-7-20)21-11-13-29(14-12-21)18(3)16-27-25(31)23-17(2)10-15-30(32)19(23)4/h6-10,15,18,21H,5,11-14,16H2,1-4H3,(H,27,31) ZAQPOANHTFMLPP-UHFFFAOYSA-N 50339958 (E)-3-(2-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)propylcarbamoyl)-2,4-dimethylpyridine 1-oxide::CHEMBL1762303 C-C chemokine receptor type 5 17010 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339958&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54587374 131342894 CHEMBL1762303 ZINC71296533 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630083 CCO[N-][C+](C1CCN(CC1)C(C)CCNC(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C26H35BrN4O3/c1-5-34-29-25(21-6-8-23(27)9-7-21)22-12-15-30(16-13-22)19(3)10-14-28-26(32)24-18(2)11-17-31(33)20(24)4/h6-9,11,17,19,22H,5,10,12-16H2,1-4H3,(H,28,32) GEYYQZXVIKGZHP-UHFFFAOYSA-N 50339959 (E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)butylcarbamoyl)-2,4-dimethylpyridine 1-oxide::CHEMBL1762304 C-C chemokine receptor type 5 290 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339959&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54583458 131342895 CHEMBL1762304 ZINC71330525 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630084 CCO[N-][C+](C1CCN(CC1)C(C)CCN(C)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C27H37BrN4O3/c1-6-35-29-26(22-7-9-24(28)10-8-22)23-13-16-31(17-14-23)20(3)12-15-30(5)27(33)25-19(2)11-18-32(34)21(25)4/h7-11,18,20,23H,6,12-17H2,1-5H3 ZYNKDSXSXQDFRF-UHFFFAOYSA-N 50339960 (E)-3-((3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)butyl)(methyl)carbamoyl)-2,4-dimethylpyridine 1-oxide::CHEMBL1762306 C-C chemokine receptor type 5 5620 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54585383 131342896 CHEMBL1762306 ZINC71330821 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630085 CCO\N=C(/C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1 InChI=1S/C24H29BrCl2N4O2/c1-3-33-30-23(17-4-6-19(25)7-5-17)18-9-12-31(13-10-18)16(2)8-11-29-24(32)22-20(26)14-28-15-21(22)27/h4-7,14-16,18H,3,8-13H2,1-2H3,(H,29,32)/b30-23- SFNBJUQRXFWUQL-WMMMYUQOSA-N 50339961 (E)-N-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide::CHEMBL1762307 C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54585384 131342897 CHEMBL1762307 ZINC71316290 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630086 CCO\N=C(/C1CCN(CC1)C1(CCNC(=O)c2c(Cl)cncc2Cl)CC1)c1ccc(Br)cc1 InChI=1S/C25H29BrCl2N4O2/c1-2-34-31-23(17-3-5-19(26)6-4-17)18-7-13-32(14-8-18)25(9-10-25)11-12-30-24(33)22-20(27)15-29-16-21(22)28/h3-6,15-16,18H,2,7-14H2,1H3,(H,30,33)/b31-23- WKCVSORKZAKKCN-SXBRIOAWSA-N 50339962 (E)-N-(2-(1-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)cyclopropyl)ethyl)-3,5-dichloroisonicotinamide::CHEMBL1762308 C-C chemokine receptor type 5 21370 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339962&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54583459 131342898 CHEMBL1762308 ZINC71330755 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630087 CCO\N=C(/C1CCN(CC1)C(C)(C)CCNC(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1 InChI=1S/C25H31BrCl2N4O2/c1-4-34-31-23(17-5-7-19(26)8-6-17)18-9-13-32(14-10-18)25(2,3)11-12-30-24(33)22-20(27)15-29-16-21(22)28/h5-8,15-16,18H,4,9-14H2,1-3H3,(H,30,33)/b31-23- CITGLVKZCQUVCD-SXBRIOAWSA-N 50339963 (E)-N-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)-3-methylbutyl)-3,5-dichloroisonicotinamide::CHEMBL1760024 C-C chemokine receptor type 5 1760 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339963&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54585369 131342899 CHEMBL1760024 ZINC71330005 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630088 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C1=NOCc2cc(Br)ccc12 InChI=1S/C23H25BrCl2N4O2/c1-14(4-7-28-23(31)21-19(25)11-27-12-20(21)26)30-8-5-15(6-9-30)22-18-3-2-17(24)10-16(18)13-32-29-22/h2-3,10-12,14-15H,4-9,13H2,1H3,(H,28,31) LZPAZFLZEUXWCJ-UHFFFAOYSA-N 50339964 CHEMBL1762309::N-(3-(4-(7-bromo-1H-benzo[d][1,2]oxazin-4-yl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 12250 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339964&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581478 131342900 CHEMBL1762309 ZINC71330623 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630089 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(O)c1ccc(Br)cc1 InChI=1S/C22H26BrCl2N3O2/c1-14(6-9-27-22(30)20-18(24)12-26-13-19(20)25)28-10-7-16(8-11-28)21(29)15-2-4-17(23)5-3-15/h2-5,12-14,16,21,29H,6-11H2,1H3,(H,27,30) SBVFNLJIIJHIAV-UHFFFAOYSA-N 50339965 CHEMBL1762311::N-(3-(4-((4-bromophenyl)(hydroxy)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 3390 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339965&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54585385 131342901 CHEMBL1762311 ZINC71330891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630090 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1)c1ccc(Br)cc1 InChI=1S/C28H30BrCl2N3O2/c1-19(11-14-33-28(35)26-24(30)17-32-18-25(26)31)34-15-12-21(13-16-34)27(20-7-9-22(29)10-8-20)36-23-5-3-2-4-6-23/h2-10,17-19,21,27H,11-16H2,1H3,(H,33,35) JTKFCLXNXUKHRI-UHFFFAOYSA-N 50339966 CHEMBL1762312::N-(3-(4-((4-bromophenyl)(phenoxy)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339966&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11410758 131342902 CHEMBL1762312 ZINC71330573 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630091 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1 InChI=1S/C28H31BrCl2N4O/c1-20(11-14-33-28(36)27-25(30)17-32-18-26(27)31)34-15-12-24(13-16-34)35(19-21-5-3-2-4-6-21)23-9-7-22(29)8-10-23/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,33,36) NKCYWBUHTRUFPD-UHFFFAOYSA-N 50339967 CHEMBL1762313::N-(3-(4-(benzyl(4-bromophenyl)amino)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339967&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581479 131342903 CHEMBL1762313 ZINC71330043 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630092 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C1(Cc2ccccc2O1)c1ccc(cc1)C(F)(F)F InChI=1S/C30H30Cl2F3N3O2/c1-19(10-13-37-28(39)27-24(31)17-36-18-25(27)32)38-14-11-22(12-15-38)29(16-20-4-2-3-5-26(20)40-29)21-6-8-23(9-7-21)30(33,34)35/h2-9,17-19,22H,10-16H2,1H3,(H,37,39) OMQIHQKBNCOMND-UHFFFAOYSA-N 50339968 3,5-dichloro-N-(3-(4-(2-(4-(trifluoromethyl)phenyl)-2,3-dihydrobenzofuran-2-yl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762314 C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339968&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54580467 131342904 CHEMBL1762314 ZINC71296447 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630093 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C1(Oc2ccccc2O1)c1ccc(cc1)C(F)(F)F InChI=1S/C29H28Cl2F3N3O3/c1-18(10-13-36-27(38)26-22(30)16-35-17-23(26)31)37-14-11-20(12-15-37)28(39-24-4-2-3-5-25(24)40-28)19-6-8-21(9-7-19)29(32,33)34/h2-9,16-18,20H,10-15H2,1H3,(H,36,38) VXCFNXWSONWJOA-UHFFFAOYSA-N 50339969 3,5-dichloro-N-(3-(4-(2-(4-(trifluoromethyl)phenyl)benzo[d][1,3]dioxol-2-yl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762315 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339969&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54583460 131342905 CHEMBL1762315 ZINC71317349 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630094 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1)c1ccc(cc1)C(F)(F)F InChI=1S/C29H30Cl2F3N3O2/c1-19(11-14-36-28(38)26-24(30)17-35-18-25(26)31)37-15-12-21(13-16-37)27(39-23-5-3-2-4-6-23)20-7-9-22(10-8-20)29(32,33)34/h2-10,17-19,21,27H,11-16H2,1H3,(H,36,38) QGZPBSFUMWAXER-UHFFFAOYSA-N 50339970 3,5-dichloro-N-(3-(4-(phenoxy(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762316 C-C chemokine receptor type 5 50 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339970&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11376667 131342906 CHEMBL1762316 ZINC71319258 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630095 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1C#N)c1ccc(cc1)C(F)(F)F InChI=1S/C30H29Cl2F3N4O2/c1-19(10-13-38-29(40)27-24(31)17-37-18-25(27)32)39-14-11-21(12-15-39)28(41-26-5-3-2-4-22(26)16-36)20-6-8-23(9-7-20)30(33,34)35/h2-9,17-19,21,28H,10-15H2,1H3,(H,38,40) KFLZBSIZBHCUHQ-UHFFFAOYSA-N 50339971 3,5-dichloro-N-(3-(4-((2-cyanophenoxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762317 C-C chemokine receptor type 5 100 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54586339 131342907 CHEMBL1762317 ZINC71330872 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630096 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(c1)C#N)c1ccc(cc1)C(F)(F)F InChI=1S/C30H29Cl2F3N4O2/c1-19(9-12-38-29(40)27-25(31)17-37-18-26(27)32)39-13-10-22(11-14-39)28(41-24-4-2-3-20(15-24)16-36)21-5-7-23(8-6-21)30(33,34)35/h2-8,15,17-19,22,28H,9-14H2,1H3,(H,38,40) PXFVKSQWHQFTSR-UHFFFAOYSA-N 50339972 3,5-dichloro-N-(3-(4-((3-cyanophenoxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762318 C-C chemokine receptor type 5 50 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339972&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11215601 131342908 CHEMBL1762318 ZINC71316430 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630097 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1Cl)c1ccc(cc1)C(F)(F)F InChI=1S/C29H29Cl3F3N3O2/c1-18(10-13-37-28(39)26-23(31)16-36-17-24(26)32)38-14-11-20(12-15-38)27(40-25-5-3-2-4-22(25)30)19-6-8-21(9-7-19)29(33,34)35/h2-9,16-18,20,27H,10-15H2,1H3,(H,37,39) ZPFKKRJCHIOPEY-UHFFFAOYSA-N 50339973 3,5-dichloro-N-(3-(4-((2-chlorophenoxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762319 C-C chemokine receptor type 5 120 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339973&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54580468 131342909 CHEMBL1762319 ZINC71329662 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630098 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F InChI=1S/C29H29Cl3F3N3O2/c1-18(9-12-37-28(39)26-24(31)16-36-17-25(26)32)38-13-10-20(11-14-38)27(40-23-4-2-3-22(30)15-23)19-5-7-21(8-6-19)29(33,34)35/h2-8,15-18,20,27H,9-14H2,1H3,(H,37,39) QPAOZNRVQHQTBH-UHFFFAOYSA-N 50339974 3,5-dichloro-N-(3-(4-((3-chlorophenoxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762320 C-C chemokine receptor type 5 60 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339974&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11157818 131342910 CHEMBL1762320 ZINC71315985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630099 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(F)c1)c1ccc(cc1)C(F)(F)F InChI=1S/C29H29Cl2F4N3O2/c1-18(9-12-37-28(39)26-24(30)16-36-17-25(26)31)38-13-10-20(11-14-38)27(40-23-4-2-3-22(32)15-23)19-5-7-21(8-6-19)29(33,34)35/h2-8,15-18,20,27H,9-14H2,1H3,(H,37,39) JVEPBRRLJSYTHH-UHFFFAOYSA-N 50339975 3,5-dichloro-N-(3-(4-((3-fluorophenoxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762324 C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339975&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11365412 131342911 CHEMBL1762324 ZINC71318570 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630100 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccn1)c1ccc(Br)cc1 InChI=1S/C27H29BrCl2N4O2/c1-18(9-13-33-27(35)25-22(29)16-31-17-23(25)30)34-14-10-20(11-15-34)26(19-5-7-21(28)8-6-19)36-24-4-2-3-12-32-24/h2-8,12,16-18,20,26H,9-11,13-15H2,1H3,(H,33,35) YEPHDGFKVQDXBN-UHFFFAOYSA-N 50339976 CHEMBL1762326::N-(3-(4-((4-bromophenyl)(pyridin-2-yloxy)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 140 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339976&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11444710 131342912 CHEMBL1762326 ZINC71329309 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630101 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccnc1)c1ccc(Br)cc1 InChI=1S/C27H29BrCl2N4O2/c1-18(8-12-33-27(35)25-23(29)16-32-17-24(25)30)34-13-9-20(10-14-34)26(19-4-6-21(28)7-5-19)36-22-3-2-11-31-15-22/h2-7,11,15-18,20,26H,8-10,12-14H2,1H3,(H,33,35) JEKXFKCNNKNGAU-UHFFFAOYSA-N 50339977 CHEMBL1762327::N-(3-(4-((4-bromophenyl)(pyridin-3-yloxy)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 970 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54584427 131342913 CHEMBL1762327 ZINC71319299 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630102 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1C)c1ccc(Br)cc1 InChI=1S/C28H31BrCl2N4O2/c1-18-4-3-12-34-28(18)37-26(20-5-7-22(29)8-6-20)21-10-14-35(15-11-21)19(2)9-13-33-27(36)25-23(30)16-32-17-24(25)31/h3-8,12,16-17,19,21,26H,9-11,13-15H2,1-2H3,(H,33,36) BPLIGEHINHNRPM-UHFFFAOYSA-N 50339978 CHEMBL1762329::N-(3-(4-((4-bromophenyl)(3-methylpyridin-2-yloxy)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 190 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11753754 131342914 CHEMBL1762329 ZINC71315959 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630103 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cc(C)ccn1)c1ccc(Br)cc1 InChI=1S/C28H31BrCl2N4O2/c1-18-7-11-33-25(15-18)37-27(20-3-5-22(29)6-4-20)21-9-13-35(14-10-21)19(2)8-12-34-28(36)26-23(30)16-32-17-24(26)31/h3-7,11,15-17,19,21,27H,8-10,12-14H2,1-2H3,(H,34,36) BVAMORINWXWHBN-UHFFFAOYSA-N 50339979 CHEMBL1762330::N-(3-(4-((4-bromophenyl)(4-methylpyridin-2-yloxy)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 140 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581480 131342915 CHEMBL1762330 ZINC71317449 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630104 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccc(C)cn1)c1ccc(Br)cc1 InChI=1S/C28H31BrCl2N4O2/c1-18-3-8-25(34-15-18)37-27(20-4-6-22(29)7-5-20)21-10-13-35(14-11-21)19(2)9-12-33-28(36)26-23(30)16-32-17-24(26)31/h3-8,15-17,19,21,27H,9-14H2,1-2H3,(H,33,36) RNFWJVYCNCVOTK-UHFFFAOYSA-N 50339980 CHEMBL1762331::N-(3-(4-((4-bromophenyl)(5-methylpyridin-2-yloxy)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 3800 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54583462 131342916 CHEMBL1762331 ZINC71330546 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630105 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(C)n1)c1ccc(Br)cc1 InChI=1S/C28H31BrCl2N4O2/c1-18-4-3-5-25(34-18)37-27(20-6-8-22(29)9-7-20)21-11-14-35(15-12-21)19(2)10-13-33-28(36)26-23(30)16-32-17-24(26)31/h3-9,16-17,19,21,27H,10-15H2,1-2H3,(H,33,36) YJMPQXVFNAVTQP-UHFFFAOYSA-N 50339981 CHEMBL1762332::N-(3-(4-((4-bromophenyl)(6-methylpyridin-2-yloxy)methyl)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 220 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339981&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54580469 131342917 CHEMBL1762332 ZINC71330057 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630106 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C29H31Cl2F3N4O2/c1-18-4-3-12-37-28(18)40-26(20-5-7-22(8-6-20)29(32,33)34)21-10-14-38(15-11-21)19(2)9-13-36-27(39)25-23(30)16-35-17-24(25)31/h3-8,12,16-17,19,21,26H,9-11,13-15H2,1-2H3,(H,36,39) PCRDJCMCFNPFTE-UHFFFAOYSA-N 50339982 3,5-dichloro-N-(3-(4-((3-methylpyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762333 C-C chemokine receptor type 5 60 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339982&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11204141 131342918 CHEMBL1762333 ZINC71319245 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630107 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cc(C)ccn1)c1ccc(cc1)C(F)(F)F InChI=1S/C29H31Cl2F3N4O2/c1-18-7-11-36-25(15-18)40-27(20-3-5-22(6-4-20)29(32,33)34)21-9-13-38(14-10-21)19(2)8-12-37-28(39)26-23(30)16-35-17-24(26)31/h3-7,11,15-17,19,21,27H,8-10,12-14H2,1-2H3,(H,37,39) RUEHTYDIJMMJEX-UHFFFAOYSA-N 50339983 3,5-dichloro-N-(3-(4-((4-methylpyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762334 C-C chemokine receptor type 5 50 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339983&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11238728 131342919 CHEMBL1762334 ZINC71330086 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630108 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(C)n1)c1ccc(cc1)C(F)(F)F InChI=1S/C29H31Cl2F3N4O2/c1-18-4-3-5-25(37-18)40-27(20-6-8-22(9-7-20)29(32,33)34)21-11-14-38(15-12-21)19(2)10-13-36-28(39)26-23(30)16-35-17-24(26)31/h3-9,16-17,19,21,27H,10-15H2,1-2H3,(H,36,39) KIXBJYUJUOHEKG-UHFFFAOYSA-N 50339984 3,5-dichloro-N-(3-(4-((6-methylpyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762335 C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339984&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11261876 131342920 CHEMBL1762335 ZINC71317024 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630109 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1Cl)c1ccc(cc1)C(F)(F)F InChI=1S/C28H28Cl3F3N4O2/c1-17(8-12-36-26(39)24-22(30)15-35-16-23(24)31)38-13-9-19(10-14-38)25(40-27-21(29)3-2-11-37-27)18-4-6-20(7-5-18)28(32,33)34/h2-7,11,15-17,19,25H,8-10,12-14H2,1H3,(H,36,39) YZUWTIDKWIGKBL-UHFFFAOYSA-N 50339985 3,5-dichloro-N-(3-(4-((3-chloropyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762336 C-C chemokine receptor type 5 140 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339985&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11490468 131342921 CHEMBL1762336 ZINC71329644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630110 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cc(Cl)ccn1)c1ccc(cc1)C(F)(F)F InChI=1S/C28H28Cl3F3N4O2/c1-17(6-10-37-27(39)25-22(30)15-35-16-23(25)31)38-12-8-19(9-13-38)26(40-24-14-21(29)7-11-36-24)18-2-4-20(5-3-18)28(32,33)34/h2-5,7,11,14-17,19,26H,6,8-10,12-13H2,1H3,(H,37,39) BAMUFKAYCZHEJW-UHFFFAOYSA-N 50339986 3,5-dichloro-N-(3-(4-((4-chloropyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762337 C-C chemokine receptor type 5 70 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11250534 131342922 CHEMBL1762337 ZINC71317806 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630111 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)n1)c1ccc(cc1)C(F)(F)F InChI=1S/C28H28Cl3F3N4O2/c1-17(9-12-36-27(39)25-21(29)15-35-16-22(25)30)38-13-10-19(11-14-38)26(40-24-4-2-3-23(31)37-24)18-5-7-20(8-6-18)28(32,33)34/h2-8,15-17,19,26H,9-14H2,1H3,(H,36,39) SEGQUBJRIWCWBZ-UHFFFAOYSA-N 50339987 3,5-dichloro-N-(3-(4-((6-chloropyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762338 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339987&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 52918140 131342923 CHEMBL1762338 ZINC71318514 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630112 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)n1)c1ccc(OC(F)(F)F)cc1 InChI=1S/C28H28Cl3F3N4O3/c1-17(9-12-36-27(39)25-21(29)15-35-16-22(25)30)38-13-10-19(11-14-38)26(40-24-4-2-3-23(31)37-24)18-5-7-20(8-6-18)41-28(32,33)34/h2-8,15-17,19,26H,9-14H2,1H3,(H,36,39) UWECJOYEFRYCLM-UHFFFAOYSA-N 50339988 3,5-dichloro-N-(3-(4-((6-chloropyridin-2-yloxy)(4-(trifluoromethoxy)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762339 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339988&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11422270 131342924 CHEMBL1762339 ZINC72129846 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630113 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)n1)c1ccc(cc1)S(C)(=O)=O InChI=1S/C28H31Cl3N4O4S/c1-18(10-13-33-28(36)26-22(29)16-32-17-23(26)30)35-14-11-20(12-15-35)27(39-25-5-3-4-24(31)34-25)19-6-8-21(9-7-19)40(2,37)38/h3-9,16-18,20,27H,10-15H2,1-2H3,(H,33,36) GWAWCEXQGCBEJE-UHFFFAOYSA-N 50339989 3,5-dichloro-N-(3-(4-((6-chloropyridin-2-yloxy)(4-(methylsulfonyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762463 C-C chemokine receptor type 5 10 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339989&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11786927 131342925 CHEMBL1762463 ZINC71318503 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630114 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccn1)c1ccc(cc1)C(F)(F)F InChI=1S/C28H29Cl2F3N4O2/c1-18(9-13-36-27(38)25-22(29)16-34-17-23(25)30)37-14-10-20(11-15-37)26(39-24-4-2-3-12-35-24)19-5-7-21(8-6-19)28(31,32)33/h2-8,12,16-18,20,26H,9-11,13-15H2,1H3,(H,36,38) ORHJRDFXSAZUJC-UHFFFAOYSA-N 50339990 3,5-dichloro-N-(3-(4-((pyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762464 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339990&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11180743 131342926 CHEMBL1762464 ZINC71317354 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630115 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(n1)C(F)(F)F)c1ccc(cc1)C(F)(F)F InChI=1S/C29H28Cl2F6N4O2/c1-17(9-12-39-27(42)25-21(30)15-38-16-22(25)31)41-13-10-19(11-14-41)26(18-5-7-20(8-6-18)28(32,33)34)43-24-4-2-3-23(40-24)29(35,36)37/h2-8,15-17,19,26H,9-14H2,1H3,(H,39,42) DSJGKJAUOYZTRF-UHFFFAOYSA-N 50339991 3,5-dichloro-N-(3-(4-((4-(trifluoromethyl)phenyl)(6-(trifluoromethyl)pyridin-2-yloxy)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762466 C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339991&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11193076 131342927 CHEMBL1762466 ZINC72132836 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630116 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(n1)C#N)c1ccc(cc1)C(F)(F)F InChI=1S/C29H28Cl2F3N5O2/c1-18(9-12-37-28(40)26-23(30)16-36-17-24(26)31)39-13-10-20(11-14-39)27(41-25-4-2-3-22(15-35)38-25)19-5-7-21(8-6-19)29(32,33)34/h2-8,16-18,20,27H,9-14H2,1H3,(H,37,40) JQPBVGHYLPNZFT-UHFFFAOYSA-N 50339992 3,5-dichloro-N-(3-(4-((6-cyanopyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide::CHEMBL1762467 C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339992&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11478988 131342928 CHEMBL1762467 ZINC71329183 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50630117 COC(=O)c1cccc(OC(C2CCN(CC2)C(C)CCNC(=O)c2c(Cl)cncc2Cl)c2ccc(cc2)C(F)(F)F)n1 InChI=1S/C30H31Cl2F3N4O4/c1-18(10-13-37-28(40)26-22(31)16-36-17-23(26)32)39-14-11-20(12-15-39)27(19-6-8-21(9-7-19)30(33,34)35)43-25-5-3-4-24(38-25)29(41)42-2/h3-9,16-18,20,27H,10-15H2,1-2H3,(H,37,40) BBPIAZGYCZVTCO-UHFFFAOYSA-N 50339993 CHEMBL1762468::methyl 6-((1-(4-(3,5-dichloroisonicotinamido)butan-2-yl)piperidin-4-yl)(4-(trifluoromethyl)phenyl)methoxy)picolinate C-C chemokine receptor type 5 1050 ChEMBL 10.1016/j.bmcl.2011.02.058 10.7270/Q2F76CV3 21398122 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; Langille, J; Di Fluri, M; Bogucki, D; Yang, W; Li, T; Wang, L; Nan, S; Baird, I; Metz, M; Darkes, M; Labrecque, J; Lau, G; Fricker, S; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339993&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11204472 131342929 CHEMBL1762468 ZINC72132827 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50629271 Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28) WOMTXGGBILJJNX-UHFFFAOYSA-N 50339635 1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)urea::CHEMBL1688888 C-C chemokine receptor type 5 >10000 ChEMBL 10.1021/jm1012903 10.7270/Q28K79DQ 21341682 Laborde, E; Macsata, RW; Meng, F; Peterson, BT; Robinson, L; Schow, SR; Simon, RJ; Xu, H; Baba, K; Inagaki, H; Ishiwata, Y; Jomori, T; Matsumoto, Y; Miyachi, A; Nakamura, T; Okamoto, M; Handel, TM; Bernard, CC Telik, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339635&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10272003 125089737 CHEMBL1688888 ZINC00603859 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50629272 CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33) MFORNGKVWCJAME-UHFFFAOYSA-N 50339636 1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(3-isopropoxyphenyl)urea Hydrochloride::CHEMBL1688889 C-C chemokine receptor type 5 >10000 ChEMBL 10.1021/jm1012903 10.7270/Q28K79DQ 21341682 Laborde, E; Macsata, RW; Meng, F; Peterson, BT; Robinson, L; Schow, SR; Simon, RJ; Xu, H; Baba, K; Inagaki, H; Ishiwata, Y; Jomori, T; Matsumoto, Y; Miyachi, A; Nakamura, T; Okamoto, M; Handel, TM; Bernard, CC Telik, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339636&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9956238 125089738 CHEMBL1688889 ZINC34049016 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50629273 Cc1nn(C)c2ncc(cc12)C(=O)NC(=O)Nc1ccc(F)c(c1)C(F)(F)F InChI=1S/C17H13F4N5O2/c1-8-11-5-9(7-22-14(11)26(2)25-8)15(27)24-16(28)23-10-3-4-13(18)12(6-10)17(19,20)21/h3-7H,1-2H3,(H2,23,24,27,28) WOMTXGGBILJJNX-UHFFFAOYSA-N 50339635 1-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)urea::CHEMBL1688888 C-C chemokine receptor type 5 2900 ChEMBL 10.1021/jm1012903 10.7270/Q28K79DQ 21341682 Laborde, E; Macsata, RW; Meng, F; Peterson, BT; Robinson, L; Schow, SR; Simon, RJ; Xu, H; Baba, K; Inagaki, H; Ishiwata, Y; Jomori, T; Matsumoto, Y; Miyachi, A; Nakamura, T; Okamoto, M; Handel, TM; Bernard, CC Telik, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339635&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10272003 125089737 CHEMBL1688888 ZINC00603859 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50629274 CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33) MFORNGKVWCJAME-UHFFFAOYSA-N 50339636 1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(3-isopropoxyphenyl)urea Hydrochloride::CHEMBL1688889 C-C chemokine receptor type 5 400 ChEMBL 10.1021/jm1012903 10.7270/Q28K79DQ 21341682 Laborde, E; Macsata, RW; Meng, F; Peterson, BT; Robinson, L; Schow, SR; Simon, RJ; Xu, H; Baba, K; Inagaki, H; Ishiwata, Y; Jomori, T; Matsumoto, Y; Miyachi, A; Nakamura, T; Okamoto, M; Handel, TM; Bernard, CC Telik, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339636&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9956238 125089738 CHEMBL1688889 ZINC34049016 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50629277 CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1 InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33) MFORNGKVWCJAME-UHFFFAOYSA-N 50339636 1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(3-isopropoxyphenyl)urea Hydrochloride::CHEMBL1688889 C-C chemokine receptor type 5 >10000 ChEMBL 10.1021/jm1012903 10.7270/Q28K79DQ 21341682 Laborde, E; Macsata, RW; Meng, F; Peterson, BT; Robinson, L; Schow, SR; Simon, RJ; Xu, H; Baba, K; Inagaki, H; Ishiwata, Y; Jomori, T; Matsumoto, Y; Miyachi, A; Nakamura, T; Okamoto, M; Handel, TM; Bernard, CC Telik, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339636&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9956238 125089738 CHEMBL1688889 ZINC34049016 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656012 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19-,23-20- LOTZSYKJMYSNJV-IKJQKJQYSA-N 50242053 6,8-didec-(1Z)-enyl-5,7-dimethyl-2,3-dihydro-1H-indolizinium trifluoroacetic acid salt::Anibamine::CHEMBL2057533::CHEMBL469649::anibamine TFA C-C chemokine receptor type 5 5430 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6479877 104098933 CHEMBL469649CHEMBL2057533 ZINC44405966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656013 CCCCCCCC\C=C\c1c2CCC[n+]2c(C)c(\C=C\CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19+,23-20+ LOTZSYKJMYSNJV-WDAKLKSISA-N 50351144 CHEMBL1817909::CHEMBL2057810 C-C chemokine receptor type 5 6530 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351144&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16658856 136357830 CHEMBL1817909CHEMBL2057810 ZINC72106812 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656014 CCCCCCCCCCc1c2CCC[n+]2c(C)c(CCCCCCCCCC)c1C InChI=1S/C30H54N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1 CNZJTHNSMCRQFK-UHFFFAOYSA-N 50351145 CHEMBL1817910::CHEMBL2057811 C-C chemokine receptor type 5 7800 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351145&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56669616 136357831 CHEMBL2057811CHEMBL1817910 ZINC72104838 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656015 CCCCCCCC\C=C/c1c(C)c(\C=C/CCCCCCCC)c2CCCC[n+]2c1C InChI=1S/C31H52N/c1-5-7-9-11-13-15-17-19-23-29-27(3)30(24-20-18-16-14-12-10-8-6-2)31-25-21-22-26-32(31)28(29)4/h19-20,23-24H,5-18,21-22,25-26H2,1-4H3/q+1/b23-19-,24-20- GMJKRAXSJAWNNL-SRPFLQSCSA-N 50351146 CHEMBL1817911::CHEMBL2057814 C-C chemokine receptor type 5 10010 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351146&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53389085 136357832 CHEMBL1817911CHEMBL2057814 ZINC72105506 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656016 CCCCCCCC\C=C\c1c(C)c(\C=C\CCCCCCCC)c2CCCC[n+]2c1C InChI=1S/C31H52N/c1-5-7-9-11-13-15-17-19-23-29-27(3)30(24-20-18-16-14-12-10-8-6-2)31-25-21-22-26-32(31)28(29)4/h19-20,23-24H,5-18,21-22,25-26H2,1-4H3/q+1/b23-19+,24-20+ GMJKRAXSJAWNNL-BLVCXSLXSA-N 50351147 CHEMBL1817912::CHEMBL2057816 C-C chemokine receptor type 5 4600 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351147&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53389083 136357833 CHEMBL2057816CHEMBL1817912 ZINC72105915 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656017 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2CCCC[n+]2c1C InChI=1S/C31H56N/c1-5-7-9-11-13-15-17-19-23-29-27(3)30(24-20-18-16-14-12-10-8-6-2)31-25-21-22-26-32(31)28(29)4/h5-26H2,1-4H3/q+1 MNUFBGVKCOWOIH-UHFFFAOYSA-N 50351148 CHEMBL1817913::CHEMBL2057818 C-C chemokine receptor type 5 15240 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351148&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56673134 136357834 CHEMBL2057818CHEMBL1817913 ZINC72116520 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656018 CCCCCCCC\C=C/c1c(C)c(\C=C/CCCCCCCC)c2CCCCC[n+]2c1C InChI=1S/C32H54N/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4/h20-21,24-25H,5-19,22-23,26-27H2,1-4H3/q+1/b24-20-,25-21- UDNLPXQKOGXVID-VQINFILPSA-N 50351149 CHEMBL1817914::CHEMBL2057815 C-C chemokine receptor type 5 8400 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351149&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56683103 136357835 CHEMBL1817914CHEMBL2057815 ZINC72106644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656019 CCCCCCCC\C=C\c1c(C)c(\C=C\CCCCCCCC)c2CCCCC[n+]2c1C InChI=1S/C32H54N/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4/h20-21,24-25H,5-19,22-23,26-27H2,1-4H3/q+1/b24-20+,25-21+ UDNLPXQKOGXVID-CTWPWMDCSA-N 50351150 CHEMBL1817915::CHEMBL2057817 C-C chemokine receptor type 5 48090 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351150&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56659272 136357836 CHEMBL1817915CHEMBL2057817 ZINC72106071 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656020 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2CCCCC[n+]2c1C InChI=1S/C32H58N/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4/h5-27H2,1-4H3/q+1 ZNXOJLMQBASDDD-UHFFFAOYSA-N 50351151 CHEMBL1817916::CHEMBL2057819 C-C chemokine receptor type 5 37610 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351151&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56676455 136357837 CHEMBL2057819CHEMBL1817916 ZINC72106711 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50656022 Cc1ccc(cc1)-c1ccc2CCCC(Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H40N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21,29,32H,4-6,17-20,22-23H2,1-3H3/p+1 DLDMBICNXCWVTP-UHFFFAOYSA-O 50351152 CHEMBL1817917 C-C chemokine receptor type 5 1.4 ChEMBL 10.1016/j.bmcl.2011.07.058 10.7270/Q2MP53NR 21820898 Haney, KM; Zhang, F; Arnatt, CK; Yuan, Y; Li, G; Ware, JL; Gewirtz, DA; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351152&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 24885008 136357838 CHEMBL1817917 ZINC72106411 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653306 CCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C31H39N3O6/c1-2-34-28(36)26(27(35)22-6-4-3-5-7-22)32-30(39)31(34)16-18-33(19-17-31)20-21-8-12-24(13-9-21)40-25-14-10-23(11-15-25)29(37)38/h8-15,22,26-27,35H,2-7,16-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/m1/s1 UHKIMVDUKKWJER-KAYWLYCHSA-N 50350037 CHEMBL1813446 C-C chemokine receptor type 5 295000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350037&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56664937 136356723 CHEMBL1813446 C03491 ZINC72113384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653307 CCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C36H50N4O5/c1-3-4-5-9-22-40-34(43)31(32(41)27-10-7-6-8-11-27)38-35(44)36(40)20-23-39(24-21-36)25-26-12-16-29(17-13-26)45-30-18-14-28(15-19-30)33(42)37-2/h12-19,27,31-32,41H,3-11,20-25H2,1-2H3,(H,37,42)(H,38,44)/t31-,32-/m1/s1 BZKSGIAIYGFXCW-ROJLCIKYSA-N 50350038 CHEMBL1813451 C-C chemokine receptor type 5 35000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350038&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56678578 136356724 CHEMBL1813451 C03491 ZINC72120579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653308 CCCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C37H52N4O5/c1-3-4-5-6-10-23-41-35(44)32(33(42)28-11-8-7-9-12-28)39-36(45)37(41)21-24-40(25-22-37)26-27-13-17-30(18-14-27)46-31-19-15-29(16-20-31)34(43)38-2/h13-20,28,32-33,42H,3-12,21-26H2,1-2H3,(H,38,43)(H,39,45)/t32-,33-/m1/s1 PQYBXNRMHWLMRW-CZNDPXEESA-N 50350039 CHEMBL1813452 C-C chemokine receptor type 5 316000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350039&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56664939 136356725 CHEMBL1813452 C03491 ZINC72112597 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653309 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(C)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C31H40N4O5/c1-32-28(37)23-10-14-25(15-11-23)40-24-12-8-21(9-13-24)20-35-18-16-31(17-19-35)30(39)33-26(29(38)34(31)2)27(36)22-6-4-3-5-7-22/h8-15,22,26-27,36H,3-7,16-20H2,1-2H3,(H,32,37)(H,33,39)/t26-,27-/m1/s1 FKYDRPOSXKFGAU-KAYWLYCHSA-N 50350040 CHEMBL1813445 C-C chemokine receptor type 5 1862000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350040&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56657984 136356726 CHEMBL1813445 C03491 ZINC72112058 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653310 CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H41N3O6/c1-2-18-35-29(37)27(28(36)23-6-4-3-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1 ANXCVWTTXMWENG-VSGBNLITSA-N 50350041 CHEMBL1813448 C-C chemokine receptor type 5 112000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350041&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577448 136356727 CHEMBL1813448 C03491 ZINC72105073 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653311 CCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C35H48N4O5/c1-3-4-8-21-39-33(42)30(31(40)26-9-6-5-7-10-26)37-34(43)35(39)19-22-38(23-20-35)24-25-11-15-28(16-12-25)44-29-17-13-27(14-18-29)32(41)36-2/h11-18,26,30-31,40H,3-10,19-24H2,1-2H3,(H,36,41)(H,37,43)/t30-,31-/m1/s1 WRVNABCHDWROKY-FIRIVFDPSA-N 50350042 CHEMBL1813450 C-C chemokine receptor type 5 3900 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350042&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56681917 136356728 CHEMBL1813450 C03491 ZINC72112704 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653312 CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H44N4O5/c1-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(39)34-2/h9-16,24,28-29,38H,3-8,17-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1 UQZFNXGLGJMAAL-FQLXRVMXSA-N 50350043 CHEMBL1813449 C-C chemokine receptor type 5 21000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350043&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56678576 136356729 CHEMBL1813449 C03491 ZINC72105074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653313 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(N)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H44N4O5/c1-2-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(34)39/h9-16,24,28-29,38H,2-8,17-22H2,1H3,(H2,34,39)(H,35,41)/t28-,29-/m1/s1 GCJIJSHPSQDNSG-FQLXRVMXSA-N 50350044 CHEMBL1813271 C-C chemokine receptor type 5 39000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350044&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577360 136356730 CHEMBL1813271 C03491 ZINC72112657 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653314 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H43N3O5/c1-2-3-19-35-30(38)28(29(37)24-7-5-4-6-8-24)33-31(39)32(35)17-20-34(21-18-32)22-23-9-13-26(14-10-23)40-27-15-11-25(36)12-16-27/h9-16,24,28-29,36-37H,2-8,17-22H2,1H3,(H,33,39)/t28-,29-/m1/s1 OYYRQZVVDSNWAK-FQLXRVMXSA-N 50350045 CHEMBL1813270 C-C chemokine receptor type 5 68000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350045&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577370 136356731 CHEMBL1813270 C03491 ZINC72112585 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653315 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H45N3O5/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-27(13-11-24)41-28-16-14-26(40-2)15-17-28/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39)/t29-,30-/m1/s1 AIYYPFTXCWEQTC-LOYHVIPDSA-N 50350046 CHEMBL1813269 C-C chemokine receptor type 5 91000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350046&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577378 136356732 CHEMBL1813269 C03491 ZINC72112584 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653316 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1 KABRIFIVQZQNHA-FQLXRVMXSA-N 50198936 (R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536754 C-C chemokine receptor type 5 53000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728787 104079714 CHEMBL536754 C03491 ZINC28817819 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653317 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 5.8 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653318 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 5.8 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653320 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 46 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653323 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m0/s1 GWNOTCOIYUNTQP-VMPREFPWSA-N 50336348 4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668022 C-C chemokine receptor type 5 447000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320546 125086450 CHEMBL1668022 C03491 ZINC66079271 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653324 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m1/s1 GWNOTCOIYUNTQP-WDYNHAJCSA-N 50336346 4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668020 C-C chemokine receptor type 5 182000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53324598 125086448 CHEMBL1668020 C03491 ZINC66074082 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653325 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 5600 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653326 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CC(F)(F)F)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C32H39F3N4O5/c1-36-28(41)23-9-13-25(14-10-23)44-24-11-7-21(8-12-24)19-38-17-15-31(16-18-38)30(43)37-26(27(40)22-5-3-2-4-6-22)29(42)39(31)20-32(33,34)35/h7-14,22,26-27,40H,2-6,15-20H2,1H3,(H,36,41)(H,37,43)/t26-,27-/m1/s1 YCTSKSPUGIZIBX-KAYWLYCHSA-N 50350048 CHEMBL1813457 C-C chemokine receptor type 5 1148000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350048&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661530 136356734 CHEMBL1813457 C03491 ZINC72113181 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653327 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCOC)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C33H44N4O6/c1-34-30(39)25-10-14-27(15-11-25)43-26-12-8-23(9-13-26)22-36-18-16-33(17-19-36)32(41)35-28(31(40)37(33)20-21-42-2)29(38)24-6-4-3-5-7-24/h8-15,24,28-29,38H,3-7,16-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1 JJPISFGHPNDBGV-FQLXRVMXSA-N 50350049 CHEMBL1813454 C-C chemokine receptor type 5 98000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350049&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577328 136356735 CHEMBL1813454 C03491 ZINC72113760 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653328 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCC(C)O)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C34H46N4O6/c1-23(39)16-19-38-32(42)29(30(40)25-6-4-3-5-7-25)36-33(43)34(38)17-20-37(21-18-34)22-24-8-12-27(13-9-24)44-28-14-10-26(11-15-28)31(41)35-2/h8-15,23,25,29-30,39-40H,3-7,16-22H2,1-2H3,(H,35,41)(H,36,43)/t23?,29-,30-/m1/s1 NNJGFWAWUICHFT-LJOBBZSYSA-N 50350050 CHEMBL1813453 C-C chemokine receptor type 5 10000000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350050&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56657986 136356736 CHEMBL1813453 C03491 ZINC72112940 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653329 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1 InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29+/m1/s1 QFVJKNCYPTUPMB-RNBBJZODSA-N 50350051 CHEMBL1813443 C-C chemokine receptor type 5 23000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350051&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56678574 136356737 CHEMBL1813443 ZINC72112639 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653330 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCC(O)CC1 InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29-/m1/s1 QFVJKNCYPTUPMB-UFYOYCAMSA-N 50350052 CHEMBL1813442 C-C chemokine receptor type 5 140000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350052&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56675256 136356738 CHEMBL1813442 ZINC72112912 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653331 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCOCC1 InChI=1S/C32H41N3O7/c1-2-3-16-35-29(37)27(28(36)23-12-19-41-20-13-23)33-31(40)32(35)14-17-34(18-15-32)21-22-4-8-25(9-5-22)42-26-10-6-24(7-11-26)30(38)39/h4-11,23,27-28,36H,2-3,12-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1 UZKHTLUPGUUXGA-VSGBNLITSA-N 50350053 CHEMBL1813441 C-C chemokine receptor type 5 120000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56671869 136356739 CHEMBL1813441 ZINC72110345 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653332 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCCC1 InChI=1S/C34H45N3O6/c1-2-3-20-37-31(39)29(30(38)25-8-6-4-5-7-9-25)35-33(42)34(37)18-21-36(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)32(40)41/h10-17,25,29-30,38H,2-9,18-23H2,1H3,(H,35,42)(H,40,41)/t29-,30-/m1/s1 NQNWJSGCFKHRLI-LOYHVIPDSA-N 50350054 CHEMBL1813440 C-C chemokine receptor type 5 32000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350054&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56681915 136356740 CHEMBL1813440 ZINC72110344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653333 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCC1 InChI=1S/C32H41N3O6/c1-2-3-18-35-29(37)27(28(36)23-6-4-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1 XCAFCMCXWAWQIY-VSGBNLITSA-N 50350055 CHEMBL1813439 C-C chemokine receptor type 5 33000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350055&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577409 136356741 CHEMBL1813439 ZINC72120553 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653334 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCC1 InChI=1S/C31H39N3O6/c1-2-3-17-34-28(36)26(27(35)22-5-4-6-22)32-30(39)31(34)15-18-33(19-16-31)20-21-7-11-24(12-8-21)40-25-13-9-23(10-14-25)29(37)38/h7-14,22,26-27,35H,2-6,15-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/m1/s1 NEHSRODTMSYSBY-KAYWLYCHSA-N 50350056 CHEMBL1813438 C-C chemokine receptor type 5 25000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350056&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661524 136356742 CHEMBL1813438 ZINC72111503 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653335 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CC1 InChI=1S/C30H37N3O6/c1-2-3-16-33-27(35)25(26(34)21-6-7-21)31-29(38)30(33)14-17-32(18-15-30)19-20-4-10-23(11-5-20)39-24-12-8-22(9-13-24)28(36)37/h4-5,8-13,21,25-26,34H,2-3,6-7,14-19H2,1H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1 LUKFTSCNGSDBKB-CLJLJLNGSA-N 50350057 CHEMBL1813437 C-C chemokine receptor type 5 81000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350057&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661522 136356743 CHEMBL1813437 ZINC72105197 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653336 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C(C)C InChI=1S/C30H39N3O6/c1-4-5-16-33-27(35)25(26(34)20(2)3)31-29(38)30(33)14-17-32(18-15-30)19-21-6-10-23(11-7-21)39-24-12-8-22(9-13-24)28(36)37/h6-13,20,25-26,34H,4-5,14-19H2,1-3H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1 FGNFDAMIWRDWBU-CLJLJLNGSA-N 50350058 CHEMBL1813436 C-C chemokine receptor type 5 48000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350058&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10230510 136356744 CHEMBL1813436 ZINC72110298 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653337 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(C)(=O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H45N3O6S/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-26(13-11-24)42-27-14-16-28(17-15-27)43(2,40)41/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39)/t29-,30-/m1/s1 KUQWDXNDCYWMHU-LOYHVIPDSA-N 50350059 CHEMBL1813434 C-C chemokine receptor type 5 34000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350059&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577388 136356745 CHEMBL1813434 C03491 ZINC72112617 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653338 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(N)(=O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H44N4O6S/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-31(39)32(36)17-20-35(21-18-32)22-23-9-11-25(12-10-23)42-26-13-15-27(16-14-26)43(33,40)41/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,39)(H2,33,40,41)/t28-,29-/m1/s1 XLLQKBJHCJNUTO-FQLXRVMXSA-N 50350060 CHEMBL1813433 C-C chemokine receptor type 5 48000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350060&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577362 136356746 CHEMBL1813433 C03491 ZINC72110875 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653339 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C34H46N4O5/c1-3-4-20-38-32(41)29(30(39)25-8-6-5-7-9-25)36-33(42)34(38)18-21-37(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)31(40)35-2/h10-17,25,29-30,39H,3-9,18-23H2,1-2H3,(H,35,40)(H,36,42)/t29-,30-/m1/s1 CYSLBIYUGATXOF-LOYHVIPDSA-N 50350061 CHEMBL1813432 C-C chemokine receptor type 5 38000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350061&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577382 136356747 CHEMBL1813432 C03491 ZINC72111119 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653340 CCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H42N4O5/c1-3-36-30(39)27(28(37)23-7-5-4-6-8-23)34-31(40)32(36)17-19-35(20-18-32)21-22-9-13-25(14-10-22)41-26-15-11-24(12-16-26)29(38)33-2/h9-16,23,27-28,37H,3-8,17-21H2,1-2H3,(H,33,38)(H,34,40)/t27-,28-/m1/s1 NSZIENNIKGKZQQ-VSGBNLITSA-N 50350062 CHEMBL1813447 C-C chemokine receptor type 5 178000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350062&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661526 136356748 CHEMBL1813447 C03491 ZINC72113385 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653341 CN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C30H37N3O6/c1-32-27(35)25(26(34)21-5-3-2-4-6-21)31-29(38)30(32)15-17-33(18-16-30)19-20-7-11-23(12-8-20)39-24-13-9-22(10-14-24)28(36)37/h7-14,21,25-26,34H,2-6,15-19H2,1H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1 OLWYQINCEJYTJC-CLJLJLNGSA-N 50350063 CHEMBL1813444 C-C chemokine receptor type 5 10000000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350063&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56664935 136356749 CHEMBL1813444 C03491 ZINC72111989 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653342 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCC(O)CC1 InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29+/m1/s1 QFVJKNCYPTUPMB-RNBBJZODSA-N 50350051 CHEMBL1813443 C-C chemokine receptor type 5 129000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350051&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56678574 136356737 CHEMBL1813443 ZINC72112639 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653343 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCC(O)CC1 InChI=1S/C33H43N3O7/c1-2-3-18-36-30(39)28(29(38)23-6-10-25(37)11-7-23)34-32(42)33(36)16-19-35(20-17-33)21-22-4-12-26(13-5-22)43-27-14-8-24(9-15-27)31(40)41/h4-5,8-9,12-15,23,25,28-29,37-38H,2-3,6-7,10-11,16-21H2,1H3,(H,34,42)(H,40,41)/t23?,25?,28-,29-/m1/s1 QFVJKNCYPTUPMB-UFYOYCAMSA-N 50350052 CHEMBL1813442 C-C chemokine receptor type 5 537000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350052&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56675256 136356738 CHEMBL1813442 ZINC72112912 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653344 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCOCC1 InChI=1S/C32H41N3O7/c1-2-3-16-35-29(37)27(28(36)23-12-19-41-20-13-23)33-31(40)32(35)14-17-34(18-15-32)21-22-4-8-25(9-5-22)42-26-10-6-24(7-11-26)30(38)39/h4-11,23,27-28,36H,2-3,12-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1 UZKHTLUPGUUXGA-VSGBNLITSA-N 50350053 CHEMBL1813441 C-C chemokine receptor type 5 302000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56671869 136356739 CHEMBL1813441 ZINC72110345 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653345 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCCC1 InChI=1S/C34H45N3O6/c1-2-3-20-37-31(39)29(30(38)25-8-6-4-5-7-9-25)35-33(42)34(37)18-21-36(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)32(40)41/h10-17,25,29-30,38H,2-9,18-23H2,1H3,(H,35,42)(H,40,41)/t29-,30-/m1/s1 NQNWJSGCFKHRLI-LOYHVIPDSA-N 50350054 CHEMBL1813440 C-C chemokine receptor type 5 5200 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350054&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56681915 136356740 CHEMBL1813440 ZINC72110344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653346 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCC1 InChI=1S/C32H41N3O6/c1-2-3-18-35-29(37)27(28(36)23-6-4-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1 XCAFCMCXWAWQIY-VSGBNLITSA-N 50350055 CHEMBL1813439 C-C chemokine receptor type 5 13000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350055&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577409 136356741 CHEMBL1813439 ZINC72120553 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653347 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCC1 InChI=1S/C31H39N3O6/c1-2-3-17-34-28(36)26(27(35)22-5-4-6-22)32-30(39)31(34)15-18-33(19-16-31)20-21-7-11-24(12-8-21)40-25-13-9-23(10-14-25)29(37)38/h7-14,22,26-27,35H,2-6,15-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/m1/s1 NEHSRODTMSYSBY-KAYWLYCHSA-N 50350056 CHEMBL1813438 C-C chemokine receptor type 5 66000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350056&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661524 136356742 CHEMBL1813438 ZINC72111503 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653348 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CC1 InChI=1S/C30H37N3O6/c1-2-3-16-33-27(35)25(26(34)21-6-7-21)31-29(38)30(33)14-17-32(18-15-30)19-20-4-10-23(11-5-20)39-24-12-8-22(9-13-24)28(36)37/h4-5,8-13,21,25-26,34H,2-3,6-7,14-19H2,1H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1 LUKFTSCNGSDBKB-CLJLJLNGSA-N 50350057 CHEMBL1813437 C-C chemokine receptor type 5 10000000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350057&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661522 136356743 CHEMBL1813437 ZINC72105197 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653349 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C(C)C InChI=1S/C30H39N3O6/c1-4-5-16-33-27(35)25(26(34)20(2)3)31-29(38)30(33)14-17-32(18-15-30)19-21-6-10-23(11-7-21)39-24-12-8-22(9-13-24)28(36)37/h6-13,20,25-26,34H,4-5,14-19H2,1-3H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1 FGNFDAMIWRDWBU-CLJLJLNGSA-N 50350058 CHEMBL1813436 C-C chemokine receptor type 5 229000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350058&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10230510 136356744 CHEMBL1813436 ZINC72110298 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653350 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H46N4O6S/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40)/t29-,30-/m1/s1 VCXYEFOPDLYZSY-LOYHVIPDSA-N 50350064 CHEMBL1813435 C-C chemokine receptor type 5 1400 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350064&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577386 136356750 CHEMBL1813435 C03491 ZINC72112618 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653351 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(N)(=O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H44N4O6S/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-31(39)32(36)17-20-35(21-18-32)22-23-9-11-25(12-10-23)42-26-13-15-27(16-14-26)43(33,40)41/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,39)(H2,33,40,41)/t28-,29-/m1/s1 XLLQKBJHCJNUTO-FQLXRVMXSA-N 50350060 CHEMBL1813433 C-C chemokine receptor type 5 3500 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350060&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577362 136356746 CHEMBL1813433 C03491 ZINC72110875 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653352 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C34H46N4O5/c1-3-4-20-38-32(41)29(30(39)25-8-6-5-7-9-25)36-33(42)34(38)18-21-37(22-19-34)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)31(40)35-2/h10-17,25,29-30,39H,3-9,18-23H2,1-2H3,(H,35,40)(H,36,42)/t29-,30-/m1/s1 CYSLBIYUGATXOF-LOYHVIPDSA-N 50350061 CHEMBL1813432 C-C chemokine receptor type 5 7400 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350061&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577382 136356747 CHEMBL1813432 C03491 ZINC72111119 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653353 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H43N3O5/c1-2-3-19-35-30(38)28(29(37)24-7-5-4-6-8-24)33-31(39)32(35)17-20-34(21-18-32)22-23-9-13-26(14-10-23)40-27-15-11-25(36)12-16-27/h9-16,24,28-29,36-37H,2-8,17-22H2,1H3,(H,33,39)/t28-,29-/m1/s1 OYYRQZVVDSNWAK-FQLXRVMXSA-N 50350045 CHEMBL1813270 C-C chemokine receptor type 5 2800 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350045&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577370 136356731 CHEMBL1813270 C03491 ZINC72112585 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653354 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H45N3O5/c1-3-4-20-36-31(38)29(30(37)25-8-6-5-7-9-25)34-32(39)33(36)18-21-35(22-19-33)23-24-10-12-27(13-11-24)41-28-16-14-26(40-2)15-17-28/h10-17,25,29-30,37H,3-9,18-23H2,1-2H3,(H,34,39)/t29-,30-/m1/s1 AIYYPFTXCWEQTC-LOYHVIPDSA-N 50350046 CHEMBL1813269 C-C chemokine receptor type 5 7100 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350046&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577378 136356732 CHEMBL1813269 C03491 ZINC72112584 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653355 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1 KABRIFIVQZQNHA-FQLXRVMXSA-N 50198936 (R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536754 C-C chemokine receptor type 5 7800 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728787 104079714 CHEMBL536754 C03491 ZINC28817819 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653356 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m0/s1 GWNOTCOIYUNTQP-VMPREFPWSA-N 50336348 4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668022 C-C chemokine receptor type 5 51000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320546 125086450 CHEMBL1668022 C03491 ZINC66079271 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653357 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m0/s1 GWNOTCOIYUNTQP-URLMMPGGSA-N 50336347 4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668021 C-C chemokine receptor type 5 470000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336347&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11947758 125086449 CHEMBL1668021 C03491 ZINC65731166 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653358 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m1/s1 GWNOTCOIYUNTQP-WDYNHAJCSA-N 50336346 4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668020 C-C chemokine receptor type 5 44000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53324598 125086448 CHEMBL1668020 C03491 ZINC66074082 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653359 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 34000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653360 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CC(F)(F)C(F)(F)F)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C33H39F5N4O5/c1-39-28(44)23-9-13-25(14-10-23)47-24-11-7-21(8-12-24)19-41-17-15-31(16-18-41)30(46)40-26(27(43)22-5-3-2-4-6-22)29(45)42(31)20-32(34,35)33(36,37)38/h7-14,22,26-27,43H,2-6,15-20H2,1H3,(H,39,44)(H,40,46)/t26-,27-/m1/s1 OHAZYIUTWZGOTP-KAYWLYCHSA-N 50350065 CHEMBL1813458 C-C chemokine receptor type 5 270000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350065&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56668364 136356751 CHEMBL1813458 C03491 ZINC72106249 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653361 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CC(F)(F)F)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C32H39F3N4O5/c1-36-28(41)23-9-13-25(14-10-23)44-24-11-7-21(8-12-24)19-38-17-15-31(16-18-38)30(43)37-26(27(40)22-5-3-2-4-6-22)29(42)39(31)20-32(33,34)35/h7-14,22,26-27,40H,2-6,15-20H2,1H3,(H,36,41)(H,37,43)/t26-,27-/m1/s1 YCTSKSPUGIZIBX-KAYWLYCHSA-N 50350048 CHEMBL1813457 C-C chemokine receptor type 5 46000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350048&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661530 136356734 CHEMBL1813457 C03491 ZINC72113181 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653362 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCN(C)C)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C34H47N5O5/c1-35-31(41)26-11-15-28(16-12-26)44-27-13-9-24(10-14-27)23-38-19-17-34(18-20-38)33(43)36-29(30(40)25-7-5-4-6-8-25)32(42)39(34)22-21-37(2)3/h9-16,25,29-30,40H,4-8,17-23H2,1-3H3,(H,35,41)(H,36,43)/t29-,30-/m1/s1 YHQOIYFBOITSKD-LOYHVIPDSA-N 50350066 CHEMBL1813456 C-C chemokine receptor type 5 640000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350066&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661528 136356752 CHEMBL1813456 C03491 ZINC72113324 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653363 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCN)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C32H43N5O5/c1-34-29(39)24-9-13-26(14-10-24)42-25-11-7-22(8-12-25)21-36-18-15-32(16-19-36)31(41)35-27(30(40)37(32)20-17-33)28(38)23-5-3-2-4-6-23/h7-14,23,27-28,38H,2-6,15-21,33H2,1H3,(H,34,39)(H,35,41)/t27-,28-/m1/s1 ZHJRVVJHNMDAHH-VSGBNLITSA-N 50350067 CHEMBL1813455 C-C chemokine receptor type 5 750000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350067&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56675258 136356753 CHEMBL1813455 C03491 ZINC72112628 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653364 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCOC)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C33H44N4O6/c1-34-30(39)25-10-14-27(15-11-25)43-26-12-8-23(9-13-26)22-36-18-16-33(17-19-36)32(41)35-28(31(40)37(33)20-21-42-2)29(38)24-6-4-3-5-7-24/h8-15,24,28-29,38H,3-7,16-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1 JJPISFGHPNDBGV-FQLXRVMXSA-N 50350049 CHEMBL1813454 C-C chemokine receptor type 5 33000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350049&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577328 136356735 CHEMBL1813454 C03491 ZINC72113760 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653365 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCC(C)O)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C34H46N4O6/c1-23(39)16-19-38-32(42)29(30(40)25-6-4-3-5-7-25)36-33(43)34(38)17-20-37(21-18-34)22-24-8-12-27(13-9-24)44-28-14-10-26(11-15-28)31(41)35-2/h8-15,23,25,29-30,39-40H,3-7,16-22H2,1-2H3,(H,35,41)(H,36,43)/t23?,29-,30-/m1/s1 NNJGFWAWUICHFT-LJOBBZSYSA-N 50350050 CHEMBL1813453 C-C chemokine receptor type 5 180000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350050&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56657986 136356736 CHEMBL1813453 C03491 ZINC72112940 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653366 CCCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C37H52N4O5/c1-3-4-5-6-10-23-41-35(44)32(33(42)28-11-8-7-9-12-28)39-36(45)37(41)21-24-40(25-22-37)26-27-13-17-30(18-14-27)46-31-19-15-29(16-20-31)34(43)38-2/h13-20,28,32-33,42H,3-12,21-26H2,1-2H3,(H,38,43)(H,39,45)/t32-,33-/m1/s1 PQYBXNRMHWLMRW-CZNDPXEESA-N 50350039 CHEMBL1813452 C-C chemokine receptor type 5 190000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350039&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56664939 136356725 CHEMBL1813452 C03491 ZINC72112597 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653367 CCCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C36H50N4O5/c1-3-4-5-9-22-40-34(43)31(32(41)27-10-7-6-8-11-27)38-35(44)36(40)20-23-39(24-21-36)25-26-12-16-29(17-13-26)45-30-18-14-28(15-19-30)33(42)37-2/h12-19,27,31-32,41H,3-11,20-25H2,1-2H3,(H,37,42)(H,38,44)/t31-,32-/m1/s1 BZKSGIAIYGFXCW-ROJLCIKYSA-N 50350038 CHEMBL1813451 C-C chemokine receptor type 5 110000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350038&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56678578 136356724 CHEMBL1813451 C03491 ZINC72120579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653368 CCCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C35H48N4O5/c1-3-4-8-21-39-33(42)30(31(40)26-9-6-5-7-10-26)37-34(43)35(39)19-22-38(23-20-35)24-25-11-15-28(16-12-25)44-29-17-13-27(14-18-29)32(41)36-2/h11-18,26,30-31,40H,3-10,19-24H2,1-2H3,(H,36,41)(H,37,43)/t30-,31-/m1/s1 WRVNABCHDWROKY-FIRIVFDPSA-N 50350042 CHEMBL1813450 C-C chemokine receptor type 5 68000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350042&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56681917 136356728 CHEMBL1813450 C03491 ZINC72112704 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653369 CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H44N4O5/c1-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(39)34-2/h9-16,24,28-29,38H,3-8,17-22H2,1-2H3,(H,34,39)(H,35,41)/t28-,29-/m1/s1 UQZFNXGLGJMAAL-FQLXRVMXSA-N 50350043 CHEMBL1813449 C-C chemokine receptor type 5 28000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350043&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56678576 136356729 CHEMBL1813449 C03491 ZINC72105074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653370 CCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H41N3O6/c1-2-18-35-29(37)27(28(36)23-6-4-3-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39)/t27-,28-/m1/s1 ANXCVWTTXMWENG-VSGBNLITSA-N 50350041 CHEMBL1813448 C-C chemokine receptor type 5 30000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350041&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577448 136356727 CHEMBL1813448 C03491 ZINC72105073 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653371 CCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H42N4O5/c1-3-36-30(39)27(28(37)23-7-5-4-6-8-23)34-31(40)32(36)17-19-35(20-18-32)21-22-9-13-25(14-10-22)41-26-15-11-24(12-16-26)29(38)33-2/h9-16,23,27-28,37H,3-8,17-21H2,1-2H3,(H,33,38)(H,34,40)/t27-,28-/m1/s1 NSZIENNIKGKZQQ-VSGBNLITSA-N 50350062 CHEMBL1813447 C-C chemokine receptor type 5 20000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350062&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56661526 136356748 CHEMBL1813447 C03491 ZINC72113385 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653372 CCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C31H39N3O6/c1-2-34-28(36)26(27(35)22-6-4-3-5-7-22)32-30(39)31(34)16-18-33(19-17-31)20-21-8-12-24(13-9-21)40-25-14-10-23(11-15-25)29(37)38/h8-15,22,26-27,35H,2-7,16-20H2,1H3,(H,32,39)(H,37,38)/t26-,27-/m1/s1 UHKIMVDUKKWJER-KAYWLYCHSA-N 50350037 CHEMBL1813446 C-C chemokine receptor type 5 23000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350037&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56664937 136356723 CHEMBL1813446 C03491 ZINC72113384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653373 CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(C)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 InChI=1S/C31H40N4O5/c1-32-28(37)23-10-14-25(15-11-23)40-24-12-8-21(9-13-24)20-35-18-16-31(17-19-35)30(39)33-26(29(38)34(31)2)27(36)22-6-4-3-5-7-22/h8-15,22,26-27,36H,3-7,16-20H2,1-2H3,(H,32,37)(H,33,39)/t26-,27-/m1/s1 FKYDRPOSXKFGAU-KAYWLYCHSA-N 50350040 CHEMBL1813445 C-C chemokine receptor type 5 59000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350040&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56657984 136356726 CHEMBL1813445 C03491 ZINC72112058 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653374 CN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C30H37N3O6/c1-32-27(35)25(26(34)21-5-3-2-4-6-21)31-29(38)30(32)15-17-33(18-16-30)19-20-7-11-23(12-8-20)39-24-13-9-22(10-14-24)28(36)37/h7-14,21,25-26,34H,2-6,15-19H2,1H3,(H,31,38)(H,36,37)/t25-,26-/m1/s1 OLWYQINCEJYTJC-CLJLJLNGSA-N 50350063 CHEMBL1813444 C-C chemokine receptor type 5 50000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350063&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56664935 136356749 CHEMBL1813444 C03491 ZINC72111989 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653376 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H46N4O6S/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40)/t29-,30-/m1/s1 VCXYEFOPDLYZSY-LOYHVIPDSA-N 50350064 CHEMBL1813435 C-C chemokine receptor type 5 26000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50350064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50350064&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577386 136356750 CHEMBL1813435 C03491 ZINC72112618 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50653377 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m0/s1 GWNOTCOIYUNTQP-URLMMPGGSA-N 50336347 4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668021 C-C chemokine receptor type 5 380000 ChEMBL 10.1016/j.bmc.2011.05.022 10.7270/Q2H70G5Q 21658961 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Murota, M; Takaoka, Y; Nakai, H; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336347&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11947758 125086449 CHEMBL1668021 C03491 ZINC65731166 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706836 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(cc1)N1CCOCC1 InChI=1S/C34H45ClN6O2/c1-24-9-13-36-22-28(24)23-41(30-7-5-29(6-8-30)40-17-19-43-20-18-40)31-11-15-39(16-12-31)26(3)10-14-37-34(42)33-25(2)21-32(35)38-27(33)4/h5-9,13,21-22,26,31H,10-12,14-20,23H2,1-4H3,(H,37,42)/t26-/m1/s1 QNNZRJMQKNQSSS-AREMUKBSSA-N 50359458 CHEMBL1927007 C-C chemokine receptor type 5 1586 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359458&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57397603 136963482 CHEMBL1927007 ZINC73199069 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706837 COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N InChI=1S/C32H37N7O2/c1-22-18-27(20-34)36-24(3)31(22)32(40)35-15-12-23(2)38-16-13-29(14-17-38)39(28-8-10-30(41-4)11-9-28)21-26-7-5-6-25(19-33)37-26/h5-11,18,23,29H,12-17,21H2,1-4H3,(H,35,40)/t23-/m1/s1 METOGXWLPCJVRQ-HSZRJFAPSA-N 50359459 CHEMBL1927008 C-C chemokine receptor type 5 0.3 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359459&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44512058 136963483 CHEMBL1927008 ZINC73198857 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706838 C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1cnccc1C)c1ccccc1 InChI=1S/C31H38N6O/c1-22-10-14-33-20-26(22)21-37(28-8-6-5-7-9-28)29-12-16-36(17-13-29)24(3)11-15-34-31(38)30-23(2)18-27(19-32)35-25(30)4/h5-10,14,18,20,24,29H,11-13,15-17,21H2,1-4H3,(H,34,38)/t24-/m1/s1 DYJCSLZMCKQHEK-XMMPIXPASA-N 50359460 CHEMBL1926905 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359460&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57394058 136963484 CHEMBL1926905 ZINC82155324 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706839 C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(OCC(N)=O)cc1 InChI=1S/C33H41N7O3/c1-22-9-13-36-19-26(22)20-40(28-5-7-30(8-6-28)43-21-31(35)41)29-11-15-39(16-12-29)24(3)10-14-37-33(42)32-23(2)17-27(18-34)38-25(32)4/h5-9,13,17,19,24,29H,10-12,14-16,20-21H2,1-4H3,(H2,35,41)(H,37,42)/t24-/m1/s1 QAPQEEFWZKTNFJ-XMMPIXPASA-N 50359461 CHEMBL1926904 C-C chemokine receptor type 5 0.98 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359461&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57402802 136963485 CHEMBL1926904 ZINC82155321 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706840 C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(cc1)S(C)=O InChI=1S/C30H40N6O2S/c1-21-10-14-31-18-25(21)19-36(26-6-8-28(9-7-26)39(5)38)27-12-16-35(17-13-27)22(2)11-15-32-30(37)29-23(3)33-20-34-24(29)4/h6-10,14,18,20,22,27H,11-13,15-17,19H2,1-5H3,(H,32,37)/t22-,39?/m1/s1 CXDATJCGJCBTES-DJHKVZLPSA-N 50359462 CHEMBL1926903 C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359462&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57395818 136963486 CHEMBL1926903 ZINC82155318 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706841 COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C InChI=1S/C33H44FN5O3/c1-23-10-14-35-21-27(23)22-39(28-6-8-30(9-7-28)42-19-18-41-5)29-12-16-38(17-13-29)25(3)11-15-36-33(40)32-24(2)20-31(34)37-26(32)4/h6-10,14,20-21,25,29H,11-13,15-19,22H2,1-5H3,(H,36,40)/t25-/m1/s1 DBIYOXJHYGPARD-RUZDIDTESA-N 50359463 CHEMBL1926902 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359463&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44512349 136963487 CHEMBL1926902 ZINC82155314 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706842 COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N InChI=1S/C34H44N6O3/c1-24-10-14-36-22-28(24)23-40(30-6-8-32(9-7-30)43-19-18-42-5)31-12-16-39(17-13-31)26(3)11-15-37-34(41)33-25(2)20-29(21-35)38-27(33)4/h6-10,14,20,22,26,31H,11-13,15-19,23H2,1-5H3,(H,37,41)/t26-/m1/s1 RPCDXSLPDDMLJW-AREMUKBSSA-N 50359464 CHEMBL1926901 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359464&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44511871 136963488 CHEMBL1926901 ZINC73196966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706843 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(OC(F)(F)F)cc1 InChI=1S/C30H30Cl2F3N5O2/c1-20(9-12-38-29(41)28-26(31)17-37-18-27(28)32)39-13-10-24(11-14-39)40(19-22-4-2-3-21(15-22)16-36)23-5-7-25(8-6-23)42-30(33,34)35/h2-8,15,17-18,20,24H,9-14,19H2,1H3,(H,38,41) PFIYLUUFBZQAIC-UHFFFAOYSA-N 50359465 CHEMBL1926886 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359465&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57397597 136963489 CHEMBL1926886 ZINC73197321 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706844 COc1ccc(cc1)N(Cc1cccc(c1)C#N)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl InChI=1S/C30H33Cl2N5O2/c1-21(10-13-35-30(38)29-27(31)18-34-19-28(29)32)36-14-11-25(12-15-36)37(24-6-8-26(39-2)9-7-24)20-23-5-3-4-22(16-23)17-33/h3-9,16,18-19,21,25H,10-15,20H2,1-2H3,(H,35,38) GCAGZWHOGGISNK-UHFFFAOYSA-N 50359466 CHEMBL1926885 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359466&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57402800 136963490 CHEMBL1926885 ZINC82157465 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706845 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(cc1)C(F)(F)F InChI=1S/C30H30Cl2F3N5O/c1-20(9-12-38-29(41)28-26(31)17-37-18-27(28)32)39-13-10-25(11-14-39)40(19-22-4-2-3-21(15-22)16-36)24-7-5-23(6-8-24)30(33,34)35/h2-8,15,17-18,20,25H,9-14,19H2,1H3,(H,38,41) IJASZWIFKOZCKV-UHFFFAOYSA-N 50359467 CHEMBL1926884 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359467&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57402799 136963491 CHEMBL1926884 ZINC82157461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706846 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(Br)cc1 InChI=1S/C29H30BrCl2N5O/c1-20(9-12-35-29(38)28-26(31)17-34-18-27(28)32)36-13-10-25(11-14-36)37(24-7-5-23(30)6-8-24)19-22-4-2-3-21(15-22)16-33/h2-8,15,17-18,20,25H,9-14,19H2,1H3,(H,35,38) WILHJQAUYUNIPV-UHFFFAOYSA-N 50359468 CHEMBL1926883 C-C chemokine receptor type 5 8 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359468&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57390535 136963492 CHEMBL1926883 ZINC82157457 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706847 COc1cccc(CN(C2CCN(CC2)C(C)CCNC(=O)c2c(Cl)cncc2Cl)c2ccc(Br)cc2)c1 InChI=1S/C29H33BrCl2N4O2/c1-20(10-13-34-29(37)28-26(31)17-33-18-27(28)32)35-14-11-24(12-15-35)36(23-8-6-22(30)7-9-23)19-21-4-3-5-25(16-21)38-2/h3-9,16-18,20,24H,10-15,19H2,1-2H3,(H,34,37) WKCUCNKLVWTUOU-UHFFFAOYSA-N 50359469 CHEMBL1926882 C-C chemokine receptor type 5 387 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359469&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57392302 136963493 CHEMBL1926882 ZINC82157453 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706848 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(Cl)c1)c1ccc(Br)cc1 InChI=1S/C28H30BrCl3N4O/c1-19(9-12-34-28(37)27-25(31)16-33-17-26(27)32)35-13-10-24(11-14-35)36(23-7-5-21(29)6-8-23)18-20-3-2-4-22(30)15-20/h2-8,15-17,19,24H,9-14,18H2,1H3,(H,34,37) WOERJSXSTHFFHD-UHFFFAOYSA-N 50359470 CHEMBL1926880 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359470&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11399408 136963494 CHEMBL1926880 ZINC73198193 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706849 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Oc2ccc(cc2)C(O)=O)cc1 InChI=1S/C35H36Cl2N4O4/c1-24(15-18-39-34(42)33-31(36)21-38-22-32(33)37)40-19-16-28(17-20-40)41(23-25-5-3-2-4-6-25)27-9-13-30(14-10-27)45-29-11-7-26(8-12-29)35(43)44/h2-14,21-22,24,28H,15-20,23H2,1H3,(H,39,42)(H,43,44) GAZVPCRVUAJMJO-UHFFFAOYSA-N 50359471 CHEMBL1926878 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359471&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57397596 136963495 CHEMBL1926878 ZINC82150789 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706850 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(cc1)C(=O)N(C)C InChI=1S/C31H37Cl2N5O2/c1-22(13-16-35-30(39)29-27(32)19-34-20-28(29)33)37-17-14-26(15-18-37)38(21-23-7-5-4-6-8-23)25-11-9-24(10-12-25)31(40)36(2)3/h4-12,19-20,22,26H,13-18,21H2,1-3H3,(H,35,39) QGSQJIGPZSEBPB-UHFFFAOYSA-N 50359472 CHEMBL1926877 C-C chemokine receptor type 5 116 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359472&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57397595 136963496 CHEMBL1926877 ZINC82150782 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706851 COC(=O)c1ccc(cc1)N(Cc1ccccc1)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl InChI=1S/C30H34Cl2N4O3/c1-21(12-15-34-29(37)28-26(31)18-33-19-27(28)32)35-16-13-25(14-17-35)36(20-22-6-4-3-5-7-22)24-10-8-23(9-11-24)30(38)39-2/h3-11,18-19,21,25H,12-17,20H2,1-2H3,(H,34,37) LRBNIEPMSKOVLH-UHFFFAOYSA-N 50359473 CHEMBL1926876 C-C chemokine receptor type 5 90 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359473&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57401041 136963497 CHEMBL1926876 ZINC82154130 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706852 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(cc1)C#N InChI=1S/C29H31Cl2N5O/c1-21(11-14-34-29(37)28-26(30)18-33-19-27(28)31)35-15-12-25(13-16-35)36(20-23-5-3-2-4-6-23)24-9-7-22(17-32)8-10-24/h2-10,18-19,21,25H,11-16,20H2,1H3,(H,34,37) DHSQGXFCXJFINF-UHFFFAOYSA-N 50359474 CHEMBL1926875 C-C chemokine receptor type 5 19 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359474&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11466794 136963498 CHEMBL1926875 ZINC82154121 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706853 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 InChI=1S/C29H31Cl2F3N4O2/c1-20(11-14-36-28(39)27-25(30)17-35-18-26(27)31)37-15-12-23(13-16-37)38(19-21-5-3-2-4-6-21)22-7-9-24(10-8-22)40-29(32,33)34/h2-10,17-18,20,23H,11-16,19H2,1H3,(H,36,39) OPMZGJWNLYVXKB-UHFFFAOYSA-N 50359475 CHEMBL1926874 C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359475&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11433338 136963499 CHEMBL1926874 ZINC82154119 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706854 COc1ccc(cc1)N(Cc1ccccc1)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl InChI=1S/C29H34Cl2N4O2/c1-21(12-15-33-29(36)28-26(30)18-32-19-27(28)31)34-16-13-24(14-17-34)35(20-22-6-4-3-5-7-22)23-8-10-25(37-2)11-9-23/h3-11,18-19,21,24H,12-17,20H2,1-2H3,(H,33,36) VKIFWYHMRZAMEW-UHFFFAOYSA-N 50359476 CHEMBL1926873 C-C chemokine receptor type 5 50 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359476&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57402798 136963500 CHEMBL1926873 ZINC82154115 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706855 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(cc1)C(F)(F)F InChI=1S/C29H31Cl2F3N4O/c1-20(11-14-36-28(39)27-25(30)17-35-18-26(27)31)37-15-12-24(13-16-37)38(19-21-5-3-2-4-6-21)23-9-7-22(8-10-23)29(32,33)34/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,36,39) TYLNNGCQIRIJKC-UHFFFAOYSA-N 50359477 CHEMBL1926872 C-C chemokine receptor type 5 34 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359477&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11192476 136963501 CHEMBL1926872 ZINC73197979 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706856 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1 InChI=1S/C28H31BrCl2N4O/c1-20(11-14-33-28(36)27-25(30)17-32-18-26(27)31)34-15-12-24(13-16-34)35(19-21-5-3-2-4-6-21)23-9-7-22(29)8-10-23/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,33,36) NKCYWBUHTRUFPD-UHFFFAOYSA-N 50339967 CHEMBL1762313::N-(3-(4-(benzyl(4-bromophenyl)amino)piperidin-1-yl)butyl)-3,5-dichloroisonicotinamide C-C chemokine receptor type 5 49 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339967&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581479 131342903 CHEMBL1762313 ZINC71330043 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706857 COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C31H37ClN6O2/c1-21-18-29(32)35-23(3)30(21)31(39)34-15-12-22(2)37-16-13-27(14-17-37)38(26-8-10-28(40-4)11-9-26)20-25-7-5-6-24(19-33)36-25/h5-11,18,22,27H,12-17,20H2,1-4H3,(H,34,39)/t22-/m1/s1 SUARYOFQUGTMDI-JOCHJYFZSA-N 50359478 CHEMBL1927009 C-C chemokine receptor type 5 0.3 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359478&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44511938 136963502 CHEMBL1927009 ZINC73198475 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706858 COc1ccc(cc1)N(Cc1cccc(n1)C#N)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C InChI=1S/C31H37FN6O2/c1-21-18-29(32)35-23(3)30(21)31(39)34-15-12-22(2)37-16-13-27(14-17-37)38(26-8-10-28(40-4)11-9-26)20-25-7-5-6-24(19-33)36-25/h5-11,18,22,27H,12-17,20H2,1-4H3,(H,34,39)/t22-/m1/s1 GQCGTFZJPSNMME-JOCHJYFZSA-N 50359479 CHEMBL1927010 C-C chemokine receptor type 5 0.7 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359479&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44512001 136963503 CHEMBL1927010 ZINC73198476 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706859 COCCOc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C33H44ClN5O3/c1-23-10-14-35-21-27(23)22-39(28-6-8-30(9-7-28)42-19-18-41-5)29-12-16-38(17-13-29)25(3)11-15-36-33(40)32-24(2)20-31(34)37-26(32)4/h6-10,14,20-21,25,29H,11-13,15-19,22H2,1-5H3,(H,36,40)/t25-/m1/s1 XREHSIWRPQXZMA-RUZDIDTESA-N 50359480 CHEMBL1926900 C-C chemokine receptor type 5 0.6 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359480&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44511935 136963504 CHEMBL1926900 ZINC82156768 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706860 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C InChI=1S/C35H48N6O3/c1-23(2)38-34(42)32-20-25(4)33(27(6)39-32)35(43)37-17-13-26(5)40-18-14-30(15-19-40)41(22-28-21-36-16-12-24(28)3)29-8-10-31(44-7)11-9-29/h8-12,16,20-21,23,26,30H,13-15,17-19,22H2,1-7H3,(H,37,43)(H,38,42)/t26-/m1/s1 MHRDZBYZHQYFBK-AREMUKBSSA-N 50359481 CHEMBL1926899 C-C chemokine receptor type 5 0.09 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359481&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57402801 136963505 CHEMBL1926899 ZINC82156766 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706861 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C#N InChI=1S/C32H40N6O2/c1-22-10-14-34-20-26(22)21-38(28-6-8-30(40-5)9-7-28)29-12-16-37(17-13-29)24(3)11-15-35-32(39)31-23(2)18-27(19-33)36-25(31)4/h6-10,14,18,20,24,29H,11-13,15-17,21H2,1-5H3,(H,35,39)/t24-/m1/s1 UFQLEBFCVYAKJZ-XMMPIXPASA-N 50359482 CHEMBL1926898 C-C chemokine receptor type 5 0.3 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359482&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44512090 136963506 CHEMBL1926898 ZINC82156762 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706862 COc1ccc(cc1)N(Cc1cccnc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C InChI=1S/C30H38FN5O2/c1-21-18-28(31)34-23(3)29(21)30(37)33-15-11-22(2)35-16-12-26(13-17-35)36(20-24-6-5-14-32-19-24)25-7-9-27(38-4)10-8-25/h5-10,14,18-19,22,26H,11-13,15-17,20H2,1-4H3,(H,33,37)/t22-/m1/s1 XFEUIXITSNYRKY-JOCHJYFZSA-N 50359483 CHEMBL1926897 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359483&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57394057 136963507 CHEMBL1926897 ZINC73198066 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706863 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C31H40ClN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m0/s1 LRCYIGFALPKLCL-QHCPKHFHSA-N 50359484 CHEMBL1926895 C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359484&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44511861 136963508 CHEMBL1926895 ZINC73198279 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706864 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(F)nc1C InChI=1S/C31H40FN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m1/s1 WZYVHJNBQODMTN-HSZRJFAPSA-N 50359485 CHEMBL1926896 C-C chemokine receptor type 5 0.3 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359485&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44511934 136963509 CHEMBL1926896 ZINC73198280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706865 COc1ccc(cc1)N(Cc1cccnc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C30H38ClN5O2/c1-21-18-28(31)34-23(3)29(21)30(37)33-15-11-22(2)35-16-12-26(13-17-35)36(20-24-6-5-14-32-19-24)25-7-9-27(38-4)10-8-25/h5-10,14,18-19,22,26H,11-13,15-17,20H2,1-4H3,(H,33,37)/t22-/m1/s1 FGTHTYXSQHJSPI-JOCHJYFZSA-N 50359486 CHEMBL1926894 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359486&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57395817 136963510 CHEMBL1926894 ZINC73198278 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706867 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C31H40ClN5O2/c1-21-10-14-33-19-25(21)20-37(26-6-8-28(39-5)9-7-26)27-12-16-36(17-13-27)23(3)11-15-34-31(38)30-22(2)18-29(32)35-24(30)4/h6-10,14,18-19,23,27H,11-13,15-17,20H2,1-5H3,(H,34,38)/t23-/m1/s1 LRCYIGFALPKLCL-HSZRJFAPSA-N 50359487 CHEMBL1926893 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359487&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15947119 136963511 CHEMBL1926893 ZINC59373507 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706868 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1cnc(Cl)cc1C InChI=1S/C30H38ClN5O2/c1-21-9-13-32-18-24(21)20-36(25-5-7-27(38-4)8-6-25)26-11-15-35(16-12-26)23(3)10-14-33-30(37)28-19-34-29(31)17-22(28)2/h5-9,13,17-19,23,26H,10-12,14-16,20H2,1-4H3,(H,33,37)/t23-/m1/s1 KONUPWFAXUVZPY-HSZRJFAPSA-N 50359488 CHEMBL1926892 C-C chemokine receptor type 5 12.3 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359488&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57395816 136963512 CHEMBL1926892 ZINC82155026 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706869 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ccnc1Cl InChI=1S/C30H38ClN5O2/c1-21-9-14-32-19-24(21)20-36(25-5-7-27(38-4)8-6-25)26-12-17-35(18-13-26)23(3)11-16-34-30(37)28-22(2)10-15-33-29(28)31/h5-10,14-15,19,23,26H,11-13,16-18,20H2,1-4H3,(H,34,37)/t23-/m1/s1 UOVPZXZQCJPQGB-HSZRJFAPSA-N 50359489 CHEMBL1926891 C-C chemokine receptor type 5 0.7 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359489&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57392303 136963513 CHEMBL1926891 ZINC82154777 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706870 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ccnc1C InChI=1S/C31H41N5O2/c1-22-10-15-32-20-26(22)21-36(27-6-8-29(38-5)9-7-27)28-13-18-35(19-14-28)24(3)12-17-34-31(37)30-23(2)11-16-33-25(30)4/h6-11,15-16,20,24,28H,12-14,17-19,21H2,1-5H3,(H,34,37)/t24-/m1/s1 IXBZZSQVMDZPGS-XMMPIXPASA-N 50359490 CHEMBL1926890 C-C chemokine receptor type 5 2.4 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359490&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57397598 136963514 CHEMBL1926890 ZINC82154773 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706871 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cncc1C InChI=1S/C31H41N5O2/c1-22-10-14-32-20-26(22)21-36(27-6-8-29(38-5)9-7-27)28-12-16-35(17-13-28)25(4)11-15-34-31(37)30-23(2)18-33-19-24(30)3/h6-10,14,18-20,25,28H,11-13,15-17,21H2,1-5H3,(H,34,37)/t25-/m1/s1 SQMJTDOREUOTKP-RUZDIDTESA-N 50359491 CHEMBL1926889 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359491&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44511966 136963515 CHEMBL1926889 ZINC82154769 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706872 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C InChI=1S/C30H40N6O2/c1-21-10-14-31-18-25(21)19-36(26-6-8-28(38-5)9-7-26)27-12-16-35(17-13-27)22(2)11-15-32-30(37)29-23(3)33-20-34-24(29)4/h6-10,14,18,20,22,27H,11-13,15-17,19H2,1-5H3,(H,32,37)/t22-/m1/s1 VZZNMMJHZKXMCT-JOCHJYFZSA-N 50359492 CHEMBL1926888 C-C chemokine receptor type 5 10.9 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359492&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44511967 136963516 CHEMBL1926888 ZINC82154765 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50706873 CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(cc1)C#N InChI=1S/C30H30Cl2N6O/c1-21(9-12-36-30(39)29-27(31)18-35-19-28(29)32)37-13-10-26(11-14-37)38(25-7-5-22(16-33)6-8-25)20-24-4-2-3-23(15-24)17-34/h2-8,15,18-19,21,26H,9-14,20H2,1H3,(H,36,39) HHXWJTVWFOGNJU-UHFFFAOYSA-N 50359493 CHEMBL1926887 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2011.09.133 10.7270/Q2GM87RZ 22033460 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Langille, J; Harwig, C; Veale, D; Yang, W; Li, T; Zhu, Y; Bey, M; Baird, I; Sartori, M; Metz, M; Mosi, R; Nelson, K; Bodart, V; Wong, R; Fricker, S; Mac Farland, R; Huskens, D; Schols, D Genzyme Corp. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359493&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57401042 136963517 CHEMBL1926887 ZINC82153697 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50698815 Fc1ccc(COCC2CCN(CCCNC(=O)c3cccc(c3)C#N)CC2)cc1 InChI=1S/C24H28FN3O2/c25-23-7-5-19(6-8-23)17-30-18-20-9-13-28(14-10-20)12-2-11-27-24(29)22-4-1-3-21(15-22)16-26/h1,3-8,15,20H,2,9-14,17-18H2,(H,27,29) GQSLIZWVXZXWJO-UHFFFAOYSA-N 50355901 CHEMBL1910166 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/j.bmcl.2011.09.013 10.7270/Q2XS5VTX 21940167 Bhalay, G; Albrecht, B; Akhlaq, M; Baettig, U; Beer, D; Brown, Z; Charlton, S; Dunstan, A; Bradley, M; Gedeck, P; Glen, A; Howe, T; Keller, T; Leighton-Davies, J; Li, A; McCarthy, C; Mocquet, C; Owen, C; Nicklin, P; Rosethorne, E Novartis Institutes of BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355901&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57403173 136959925 CHEMBL1910166 ZINC73129363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50698816 COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1 InChI=1S/C26H35FN2O4S/c1-32-24-7-8-25(33-2)26(18-24)34(30,31)29-15-11-22(12-16-29)19-28-13-9-21(10-14-28)17-20-3-5-23(27)6-4-20/h3-8,18,21-22H,9-17,19H2,1-2H3 WHGLMSULBHVGIP-UHFFFAOYSA-N 50355900 CHEMBL1910167 C-C chemokine receptor type 5 2850 ChEMBL 10.1016/j.bmcl.2011.09.013 10.7270/Q2XS5VTX 21940167 Bhalay, G; Albrecht, B; Akhlaq, M; Baettig, U; Beer, D; Brown, Z; Charlton, S; Dunstan, A; Bradley, M; Gedeck, P; Glen, A; Howe, T; Keller, T; Leighton-Davies, J; Li, A; McCarthy, C; Mocquet, C; Owen, C; Nicklin, P; Rosethorne, E Novartis Institutes of BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355900&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57392726 136959924 CHEMBL1910167 ZINC73129500 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50698817 COc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(CC2)c2ccc(F)cc2)CC1 InChI=1S/C25H33FN2O3S/c1-19-3-8-24(31-2)25(17-19)32(29,30)28-15-9-20(10-16-28)18-27-13-11-22(12-14-27)21-4-6-23(26)7-5-21/h3-8,17,20,22H,9-16,18H2,1-2H3 PEENEVREEPDLEY-UHFFFAOYSA-N 50355902 CHEMBL1910168 C-C chemokine receptor type 5 1300 ChEMBL 10.1016/j.bmcl.2011.09.013 10.7270/Q2XS5VTX 21940167 Bhalay, G; Albrecht, B; Akhlaq, M; Baettig, U; Beer, D; Brown, Z; Charlton, S; Dunstan, A; Bradley, M; Gedeck, P; Glen, A; Howe, T; Keller, T; Leighton-Davies, J; Li, A; McCarthy, C; Mocquet, C; Owen, C; Nicklin, P; Rosethorne, E Novartis Institutes of BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50355902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50355902&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57398009 136959926 CHEMBL1910168 ZINC73129503 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719081 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H43ClFN3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1 CUHPXYVMUDWNGU-SSEXGKCCSA-N 50364744 CHEMBL1951915 C-C chemokine receptor type 5 0.69 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57396952 136968806 CHEMBL1951915 ZINC68045350 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719084 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H44ClN3O5S2/c1-4-35(31(36)22-24-8-10-29(11-9-24)41(2,37)38)28-14-17-33(18-15-28)19-16-30(26-6-5-7-27(32)23-26)25-12-20-34(21-13-25)42(3,39)40/h5-11,23,25,28,30H,4,12-22H2,1-3H3/t30-/m1/s1 KYLOZBUIUJEBQB-SSEXGKCCSA-N 50364746 CHEMBL1951917 C-C chemokine receptor type 5 0.55 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57391722 136968808 CHEMBL1951917 ZINC73276439 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719086 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H44F3N3O5S2/c1-4-38(31(39)22-24-8-10-29(11-9-24)44(2,40)41)28-14-17-36(18-15-28)19-16-30(25-12-20-37(21-13-25)45(3,42)43)26-6-5-7-27(23-26)32(33,34)35/h5-11,23,25,28,30H,4,12-22H2,1-3H3/t30-/m1/s1 VVWTYHCFZJLFJA-SSEXGKCCSA-N 50364747 CHEMBL1951918 C-C chemokine receptor type 5 3.5 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57393451 136968809 CHEMBL1951918 ZINC68045348 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719090 CCN(C1CCN(CC[C@H](N2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C30H42F2N4O5S2/c1-4-36(30(37)19-23-5-7-28(8-6-23)42(2,38)39)27-9-12-33(13-10-27)14-11-29(24-20-25(31)22-26(32)21-24)34-15-17-35(18-16-34)43(3,40)41/h5-8,20-22,27,29H,4,9-19H2,1-3H3/t29-/m0/s1 GQYTWMORXNLJCB-LJAQVGFWSA-N 50364749 CHEMBL1951909 C-C chemokine receptor type 5 3700 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57396951 136968811 CHEMBL1951909 ZINC73280665 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719092 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H45N3O5S2/c1-4-34(31(35)24-25-10-12-29(13-11-25)40(2,36)37)28-16-19-32(20-17-28)21-18-30(26-8-6-5-7-9-26)27-14-22-33(23-15-27)41(3,38)39/h5-13,27-28,30H,4,14-24H2,1-3H3/t30-/m0/s1 PPYMERDBEMQHQM-PMERELPUSA-N 50364750 CHEMBL1951906 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57400374 136968812 CHEMBL1951906 ZINC73279951 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719095 CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)C(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C30H41F3N4O5S2/c1-3-37(29(38)23-24-9-11-27(12-10-24)43(2,39)40)26-13-16-34(17-14-26)18-15-28(25-7-5-4-6-8-25)35-19-21-36(22-20-35)44(41,42)30(31,32)33/h4-12,26,28H,3,13-23H2,1-2H3/t28-/m0/s1 VUBTZEVOZNXJTP-NDEPHWFRSA-N 50364752 CHEMBL1951898 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57402175 136968814 CHEMBL1951898 ZINC84581598 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719097 CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)CC(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H43F3N4O5S2/c1-3-38(30(39)23-25-9-11-28(12-10-25)44(2,40)41)27-13-16-35(17-14-27)18-15-29(26-7-5-4-6-8-26)36-19-21-37(22-20-36)45(42,43)24-31(32,33)34/h4-12,27,29H,3,13-24H2,1-2H3/t29-/m0/s1 MELLPTHIQUBYAE-LJAQVGFWSA-N 50364753 CHEMBL1951899 C-C chemokine receptor type 5 8.9 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364753&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57391720 136968815 CHEMBL1951899 ZINC82178694 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719099 CCN(C1CCN(CCC(N2CCN(C)CC2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C30H44N4O3S/c1-4-34(30(35)24-25-10-12-28(13-11-25)38(3,36)37)27-14-17-32(18-15-27)19-16-29(26-8-6-5-7-9-26)33-22-20-31(2)21-23-33/h5-13,27,29H,4,14-24H2,1-3H3 JVEDYEAHCZWSNS-UHFFFAOYSA-N 50364754 CHEMBL1951892 C-C chemokine receptor type 5 363 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3011719 136968816 CHEMBL1951892 ZINC33504555 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719100 CCN(C1CCN(CCC(N2CCN(CC2)c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C35H46N4O3S/c1-3-39(35(40)28-29-14-16-33(17-15-29)43(2,41)42)32-18-21-36(22-19-32)23-20-34(30-10-6-4-7-11-30)38-26-24-37(25-27-38)31-12-8-5-9-13-31/h4-17,32,34H,3,18-28H2,1-2H3 JYULPTUAHQIXEE-UHFFFAOYSA-N 50364755 CHEMBL1951893 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3011729 136968817 CHEMBL1951893 ZINC73280281 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719102 CCN(C1CCN(CCC(N2CCN(CC2)c2cccc(F)c2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C35H45FN4O3S/c1-3-40(35(41)26-28-12-14-33(15-13-28)44(2,42)43)31-16-19-37(20-17-31)21-18-34(29-8-5-4-6-9-29)39-24-22-38(23-25-39)32-11-7-10-30(36)27-32/h4-15,27,31,34H,3,16-26H2,1-2H3 XXWFSNOROXVFAO-UHFFFAOYSA-N 50364756 CHEMBL1951894 C-C chemokine receptor type 5 3.1 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57395178 136968818 CHEMBL1951894 ZINC73280284 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719104 CCN(C1CCN(CCC(N2CCN(CC2)C(C)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H44N4O4S/c1-4-35(31(37)24-26-10-12-29(13-11-26)40(3,38)39)28-14-17-32(18-15-28)19-16-30(27-8-6-5-7-9-27)34-22-20-33(21-23-34)25(2)36/h5-13,28,30H,4,14-24H2,1-3H3 JDFSLKRZSJQKFT-UHFFFAOYSA-N 50364757 CHEMBL1951895 C-C chemokine receptor type 5 229 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57396949 136968819 CHEMBL1951895 ZINC73280288 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719105 CCN(C1CCN(CCC(N2CCN(CC2)S(C)(=O)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C30H44N4O5S2/c1-4-34(30(35)24-25-10-12-28(13-11-25)40(2,36)37)27-14-17-31(18-15-27)19-16-29(26-8-6-5-7-9-26)32-20-22-33(23-21-32)41(3,38)39/h5-13,27,29H,4,14-24H2,1-3H3 UBUVIBVKTHGWMX-UHFFFAOYSA-N 50364758 CHEMBL1951896 C-C chemokine receptor type 5 39 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364758&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57400372 136968820 CHEMBL1951896 ZINC73280292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719107 CCN(C1CCN(CCC(N2CCN(CC2)S(=O)(=O)CC)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H46N4O5S2/c1-4-35(31(36)25-26-11-13-29(14-12-26)41(3,37)38)28-15-18-32(19-16-28)20-17-30(27-9-7-6-8-10-27)33-21-23-34(24-22-33)42(39,40)5-2/h6-14,28,30H,4-5,15-25H2,1-3H3 BDNJKHFQQJXFNJ-UHFFFAOYSA-N 50364759 CHEMBL1951897 C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364759&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57403931 136968821 CHEMBL1951897 ZINC73292360 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719108 CCN(C1CCN(CCC(N2CCC(C)CC2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H45N3O3S/c1-4-34(31(35)24-26-10-12-29(13-11-26)38(3,36)37)28-16-19-32(20-17-28)21-18-30(27-8-6-5-7-9-27)33-22-14-25(2)15-23-33/h5-13,25,28,30H,4,14-24H2,1-3H3 ZZWCWEGNNCVDPY-UHFFFAOYSA-N 50364760 CHEMBL1951900 C-C chemokine receptor type 5 339 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364760&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3011722 136968822 CHEMBL1951900 ZINC33504558 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719109 CCN(C1CCN(CCC(N2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C37H49N3O3S/c1-3-40(37(41)29-31-14-16-35(17-15-31)44(2,42)43)34-20-23-38(24-21-34)25-22-36(33-12-8-5-9-13-33)39-26-18-32(19-27-39)28-30-10-6-4-7-11-30/h4-17,32,34,36H,3,18-29H2,1-2H3 PNYWSRFQQRUDKN-UHFFFAOYSA-N 50364761 CHEMBL1951901 C-C chemokine receptor type 5 162 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364761&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57400373 136968823 CHEMBL1951901 ZINC73279987 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719110 CCN(C1CCN(CCC(N2CCC(CC2)C(C)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H45N3O4S/c1-4-35(32(37)24-26-10-12-30(13-11-26)40(3,38)39)29-16-19-33(20-17-29)21-18-31(28-8-6-5-7-9-28)34-22-14-27(15-23-34)25(2)36/h5-13,27,29,31H,4,14-24H2,1-3H3 KIBDJJXRHBWQSZ-UHFFFAOYSA-N 50364762 CHEMBL1951902 C-C chemokine receptor type 5 83 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3011721 136968824 CHEMBL1951902 ZINC73275587 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719111 CCN(C1CCN(CCC(C2CCN(C)CC2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H45N3O3S/c1-4-34(31(35)24-25-10-12-29(13-11-25)38(3,36)37)28-16-21-33(22-17-28)23-18-30(26-8-6-5-7-9-26)27-14-19-32(2)20-15-27/h5-13,27-28,30H,4,14-24H2,1-3H3 XWKXPLPDTIDFPV-UHFFFAOYSA-N 50364763 CHEMBL1951903 C-C chemokine receptor type 5 126 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364763&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3011725 136968825 CHEMBL1951903 ZINC33504563 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719112 CCN(C1CCN(CCC(C2CCN(Cc3ccccc3)CC2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C37H49N3O3S/c1-3-40(37(41)28-30-14-16-35(17-15-30)44(2,42)43)34-20-25-38(26-21-34)27-22-36(32-12-8-5-9-13-32)33-18-23-39(24-19-33)29-31-10-6-4-7-11-31/h4-17,33-34,36H,3,18-29H2,1-2H3 QITNIAPXIUPAEO-UHFFFAOYSA-N 50364764 CHEMBL1951904 C-C chemokine receptor type 5 8.9 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3011723 136968826 CHEMBL1951904 ZINC73276565 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719113 CCN(C1CCN(CCC(C2CCN(CC2)C(C)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H45N3O4S/c1-4-35(32(37)24-26-10-12-30(13-11-26)40(3,38)39)29-16-19-33(20-17-29)21-18-31(27-8-6-5-7-9-27)28-14-22-34(23-15-28)25(2)36/h5-13,28-29,31H,4,14-24H2,1-3H3 NHZGJOFLEPXQTB-UHFFFAOYSA-N 50364765 CHEMBL1951905 C-C chemokine receptor type 5 37 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364765&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 18442936 136968827 CHEMBL1951905 ZINC73279120 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719114 CCN(C1CCN(CCC(C2CCN(CC2)S(=O)(=O)CC)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H47N3O5S2/c1-4-35(32(36)25-26-11-13-30(14-12-26)41(3,37)38)29-17-20-33(21-18-29)22-19-31(27-9-7-6-8-10-27)28-15-23-34(24-16-28)42(39,40)5-2/h6-14,28-29,31H,4-5,15-25H2,1-3H3 HGUBMNSXGREHNN-UHFFFAOYSA-N 50364766 CHEMBL1951907 C-C chemokine receptor type 5 2.4 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364766&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3011734 136968828 CHEMBL1951907 ZINC03916203 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719115 CCN(C1CCN(CCC(C2CCN(CC2)S(=O)(=O)CC(F)(F)F)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H44F3N3O5S2/c1-3-38(31(39)23-25-9-11-29(12-10-25)44(2,40)41)28-15-18-36(19-16-28)20-17-30(26-7-5-4-6-8-26)27-13-21-37(22-14-27)45(42,43)24-32(33,34)35/h4-12,27-28,30H,3,13-24H2,1-2H3 YMVUDXXJWGJTPG-UHFFFAOYSA-N 50364767 CHEMBL1949696 C-C chemokine receptor type 5 5.4 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364767&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57396843 136968829 CHEMBL1949696 ZINC84581462 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719116 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(c2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H47N3O7S3/c1-5-35(32(36)23-25-9-11-29(12-10-25)43(2,37)38)28-15-18-33(19-16-28)20-17-31(26-13-21-34(22-14-26)45(4,41)42)27-7-6-8-30(24-27)44(3,39)40/h6-12,24,26,28,31H,5,13-23H2,1-4H3/t31-/m1/s1 POSCTKCOIKQVHU-WJOKGBTCSA-N 50364768 CHEMBL1951910 C-C chemokine receptor type 5 794 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364768&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57400375 136968830 CHEMBL1951910 ZINC82178821 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719117 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(OC)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H47N3O6S2/c1-5-35(32(36)23-25-9-11-30(12-10-25)42(3,37)38)28-15-18-33(19-16-28)20-17-31(27-7-6-8-29(24-27)41-2)26-13-21-34(22-14-26)43(4,39)40/h6-12,24,26,28,31H,5,13-23H2,1-4H3/t31-/m1/s1 STVUFIPEQOBZAX-WJOKGBTCSA-N 50364769 CHEMBL1951911 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364769&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57395179 136968831 CHEMBL1951911 ZINC73293586 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719119 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H44FN3O5S2/c1-4-35(31(36)22-24-8-10-29(11-9-24)41(2,37)38)28-14-17-33(18-15-28)19-16-30(26-6-5-7-27(32)23-26)25-12-20-34(21-13-25)42(3,39)40/h5-11,23,25,28,30H,4,12-22H2,1-3H3/t30-/m1/s1 YBLZDNSYXSHJJF-SSEXGKCCSA-N 50364770 CHEMBL1951912 C-C chemokine receptor type 5 0.68 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364770&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57403932 136968832 CHEMBL1951912 ZINC43101477 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719121 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cccc(C)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H47N3O5S2/c1-5-35(32(36)24-26-9-11-30(12-10-26)41(3,37)38)29-15-18-33(19-16-29)20-17-31(28-8-6-7-25(2)23-28)27-13-21-34(22-14-27)42(4,39)40/h6-12,23,27,29,31H,5,13-22,24H2,1-4H3/t31-/m1/s1 SUOVSKFZWHJHSK-WJOKGBTCSA-N 50364771 CHEMBL1951913 C-C chemokine receptor type 5 0.44 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364771&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57391721 136968833 CHEMBL1951913 ZINC73275029 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719122 CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1 QOSMEMHKXNNIGG-SSEXGKCCSA-N 50364743 CHEMBL1951914 C-C chemokine receptor type 5 0.26 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11614352 136968805 CHEMBL1951914 ZINC43101474 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50719124 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1 SCXSQUUTGCWHFU-WJOKGBTCSA-N 50185666 (R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL212689 C-C chemokine receptor type 5 0.32 ChEMBL 10.1016/j.bmcl.2011.12.117 10.7270/Q25H7GQ6 22266038 Cumming, JG; Tucker, H; Oldfield, J; Fielding, C; Highton, A; Faull, A; Wild, M; Brown, D; Wells, S; Shaw, J AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185666&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16007088 104069844 CHEMBL212689 ZINC36126689 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50732507 O=S(=O)(N1C[C@H](CN2CCC3(CSc4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C29H32N2O2S2/c32-35(33,25-11-5-2-6-12-25)31-20-24(26(21-31)23-9-3-1-4-10-23)19-30-17-15-29(16-18-30)22-34-28-14-8-7-13-27(28)29/h1-14,24,26H,15-22H2/t24-,26+/m0/s1 MLGUGUGJZZJNEQ-AZGAKELHSA-N 50100012 1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL287515 C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100012&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489593 103996828 CHEMBL287515 ZINC29223248 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50732508 O=S1CC2(CCN(C[C@@H]3CN(C[C@@H]3c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c2ccccc12 InChI=1S/C29H32N2O3S2/c32-35-22-29(27-13-7-8-14-28(27)35)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)36(33,34)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26-,35?/m1/s1 IUMHTNIGQVOIEZ-CMJDGRNWSA-N 50100013 1'-[4-phenyl-1-phenylsulfonyl-(3R,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1-oxide]::CHEMBL284380 C-C chemokine receptor type 5 3500 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100013&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489597 103996829 CHEMBL284380 ZINC29222708 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50732509 O=S(=O)(N1C[C@@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C29H32N2O4S2/c32-36(33)22-29(27-13-7-8-14-28(27)36)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)37(34,35)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26-/m1/s1 BVANZKRFYXZAHF-AOYPEHQESA-N 50100014 1'-[4-phenyl-1-phenylsulfonyl-(3R,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1,1-dioxide]::CHEMBL33335 C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100014&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489598 103996830 CHEMBL33335 ZINC29223148 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50732512 O=S(=O)(N1C[C@@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C29H32N2O4S2/c32-36(33)22-29(27-13-7-8-14-28(27)36)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)37(34,35)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+/m1/s1 BVANZKRFYXZAHF-RSXGOPAZSA-N 50100017 1'-[4-phenyl-1-phenylsulfonyl-(3R,4R)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1,1-dioxide]::CHEMBL33330 C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100017&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489599 103996833 CHEMBL33330 ZINC29223048 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50732513 CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C29H34N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3 VAJOGYQUKHOXAR-UHFFFAOYSA-N 50096543 1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1-oxide]::CHEMBL408438 C-C chemokine receptor type 5 68 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50096543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50096543&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 478296 103994057 CHEMBL408438 ZINC13479347 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50732516 O=S(=O)(N1C[C@@H](CN2CCC3(CSc4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C29H32N2O2S2/c32-35(33,25-11-5-2-6-12-25)31-20-24(26(21-31)23-9-3-1-4-10-23)19-30-17-15-29(16-18-30)22-34-28-14-8-7-13-27(28)29/h1-14,24,26H,15-22H2/t24-,26-/m1/s1 MLGUGUGJZZJNEQ-AOYPEHQESA-N 50100018 1'-(4-phenyl-1-phenylsulfonyltetrahydro-1H-3-pyrrolylmethyl)spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL284487 C-C chemokine receptor type 5 >10000 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100018&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489596 103996834 CHEMBL284487 ZINC29222842 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50715858 N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1 FVIPKDVNUOEKRA-ZWCUEREDSA-N 50363430 CHEMBL1944776 C-C chemokine receptor type 5 7300 ChEMBL 10.1016/j.bmcl.2011.12.057 10.7270/Q2DJ5G2F 22225639 Yang, MG; Xiao, Z; Shi, Q; Cherney, RJ; Tebben, AJ; De Lucca, GV; Santella, JB; Mo, R; Cvijic, ME; Zhao, Q; Barrish, JC; Carter, PH Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363430&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57335017 136967492 CHEMBL1944776 ZINC82150506 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50715859 CC(C)N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F InChI=1S/C30H38F3N5O5S/c1-19(2)35-25-12-10-22(15-20(25)18-44(42,43)23-7-4-3-5-8-23)36-27(39)17-34-28(40)24-16-21(30(31,32)33)9-11-26(24)37-29(41)38-13-6-14-38/h3-5,7-9,11,16,19-20,22,25,35H,6,10,12-15,17-18H2,1-2H3,(H,34,40)(H,36,39)(H,37,41)/t20-,22+,25-/m1/s1 FLINZDKAJGFTLP-JLRUASKGSA-N 50363432 CHEMBL1944778 C-C chemokine receptor type 5 810 ChEMBL 10.1016/j.bmcl.2011.12.057 10.7270/Q2DJ5G2F 22225639 Yang, MG; Xiao, Z; Shi, Q; Cherney, RJ; Tebben, AJ; De Lucca, GV; Santella, JB; Mo, R; Cvijic, ME; Zhao, Q; Barrish, JC; Carter, PH Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363432&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57391591 136967494 CHEMBL1944778 ZINC82140104 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740008 CC(C)CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C29H40BrN5O2/c1-20(2)18-37-33-27(23-6-8-25(30)9-7-23)24-10-14-35(15-11-24)29(5)12-16-34(17-13-29)28(36)26-21(3)31-19-32-22(26)4/h6-9,19-20,24H,10-18H2,1-5H3/b33-27- DOLSMZFVDFFPFE-KGGMANCPSA-N 50124942 (4-{(4-Bromo-phenyl)-[(E)-isobutoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL341758 C-C chemokine receptor type 5 8.1 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124942&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495586 104017192 CHEMBL341758 ZINC27521641 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740009 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(C)C)c1ccc(Br)cc1 InChI=1S/C30H42BrN5O2/c1-7-38-34-27(23-8-10-25(31)11-9-23)24-12-16-36(17-13-24)30(6)14-18-35(19-15-30)29(37)26-21(4)32-28(20(2)3)33-22(26)5/h8-11,20,24H,7,12-19H2,1-6H3/b34-27- BTOINGCBJQSGDU-YLHCSOALSA-N 50124944 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-isopropyl-4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL139701 C-C chemokine receptor type 5 43 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124944&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495594 104017194 CHEMBL139701 ZINC27522380 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740010 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)cncc1Br)c1ccc(Br)cc1 InChI=1S/C26H31Br3N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+ RHCLUWBDZMYHPR-QFMPWRQOSA-N 50124943 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dibromo-pyridin-4-yl)-methanone::CHEMBL349008 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124943&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482301 104017193 CHEMBL349008 ZINC03994281 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740012 CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C26H34BrN5O2/c1-18-23(19(2)29-17-28-18)25(33)31-15-11-26(3,12-16-31)32-13-9-21(10-14-32)24(30-34-4)20-5-7-22(27)8-6-20/h5-8,17,21H,9-16H2,1-4H3/b30-24+ YOVJVIUBJPWGOX-BGABXYSRSA-N 50124949 (4-{(4-Bromo-phenyl)-[(Z)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL161587 C-C chemokine receptor type 5 4.7 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124949&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579117 104017199 CHEMBL161587 ZINC13487884 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740013 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1 InChI=1S/C26H31BrCl2N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+ KUJWYGAYGZNEMX-QFMPWRQOSA-N 50124953 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dichloro-pyridin-4-yl)-methanone::CHEMBL350563 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482300 104017203 CHEMBL350563 ZINC03994280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740014 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(SC)nc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O2S/c1-6-36-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(37-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25- FSFHABHUUMNWRC-MKCFTUBBSA-N 50124956 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-methanone::CHEMBL140418 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495597 104017206 CHEMBL140418 ZINC27517930 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740015 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(NS(C)(=O)=O)nc1C)c1ccc(Br)cc1 InChI=1S/C28H39BrN6O4S/c1-6-39-32-25(21-7-9-23(29)10-8-21)22-11-15-35(16-12-22)28(4)13-17-34(18-14-28)26(36)24-19(2)30-27(31-20(24)3)33-40(5,37)38/h7-10,22H,6,11-18H2,1-5H3,(H,30,31,33)/b32-25- KXNXHVHVBIUIPC-MKCFTUBBSA-N 50124954 CHEMBL342706::N-[5-(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-carbonyl)-4,6-dimethyl-pyrimidin-2-yl]-methanesulfonamide C-C chemokine receptor type 5 315 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124954&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495593 104017204 CHEMBL342706 ZINC27522382 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740016 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C27H36BrN5O2/c1-5-35-31-25(21-6-8-23(28)9-7-21)22-10-14-33(15-11-22)27(4)12-16-32(17-13-27)26(34)24-19(2)29-18-30-20(24)3/h6-9,18,22H,5,10-17H2,1-4H3/b31-25+ CUMNLLPTVALULI-QCKNELIISA-N 50124948 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL351625 C-C chemokine receptor type 5 2.2 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124948&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482299 104017198 CHEMBL351625 ZINC27748872 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740017 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cncc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-10-14-33(15-11-23)28(4)12-16-32(17-13-28)27(34)25-20(2)18-30-19-21(25)3/h6-9,18-19,23H,5,10-17H2,1-4H3/b31-26+ KBSCLJAQJYVUQQ-GKPLWNPISA-N 50124955 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dimethyl-pyridin-4-yl)-methanone::CHEMBL162946 C-C chemokine receptor type 5 23 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124955&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495579 104017205 CHEMBL162946 ZINC27769808 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740018 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)c[n+]([O-])cc1Br)c1ccc(Br)cc1 InChI=1S/C26H31Br3N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3 GBZPWPDNOXXZSC-UHFFFAOYSA-N 50124957 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dibromo-1-oxy-pyridin-4-yl)-methanone::CHEMBL162880::CHEMBL337776 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579116 104017207 CHEMBL162880CHEMBL337776 ZINC27761366 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740019 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C1CC1)c1ccc(Br)cc1 InChI=1S/C30H40BrN5O2/c1-5-38-34-27(22-8-10-25(31)11-9-22)23-12-16-36(17-13-23)30(4)14-18-35(19-15-30)29(37)26-20(2)32-28(24-6-7-24)33-21(26)3/h8-11,23-24H,5-7,12-19H2,1-4H3/b34-27- NLVKIVNKNTXIBU-YLHCSOALSA-N 50124961 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL139246 C-C chemokine receptor type 5 25 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495595 104017211 CHEMBL139246 ZINC27518089 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740020 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)c[n+]([O-])cc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-10-14-32(15-11-23)28(4)12-16-31(17-13-28)27(34)25-20(2)18-33(35)19-21(25)3/h6-9,18-19,23H,5,10-17H2,1-4H3 GOONFQIXEZVCEW-UHFFFAOYSA-N 50124945 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dimethyl-1-oxy-pyridin-4-yl)-methanone::CHEMBL137856::CHEMBL161664 C-C chemokine receptor type 5 8.80 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124945&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495580 104017195 CHEMBL161664CHEMBL137856 ZINC27749728 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740021 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O2/c1-6-36-32-26(22-7-9-24(29)10-8-22)23-11-15-34(16-12-23)28(5)13-17-33(18-14-28)27(35)25-19(2)30-21(4)31-20(25)3/h7-10,23H,6,11-18H2,1-5H3/b32-26- UZJSKCQFXMKARM-FSRJSHLRSA-N 50124951 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4,6-trimethyl-pyrimidin-5-yl)-methanone::CHEMBL335120 C-C chemokine receptor type 5 2.1 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124951&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495589 104017201 CHEMBL335120 ZINC27520891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740022 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C28H35BrF3N5O2/c1-5-39-35-24(20-6-8-22(29)9-7-20)21-10-14-37(15-11-21)27(4)12-16-36(17-13-27)25(38)23-18(2)33-26(28(30,31)32)34-19(23)3/h6-9,21H,5,10-17H2,1-4H3/b35-24- NGPXNGHDMCPSGE-BGDIREAQSA-N 50124941 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-2-trifluoromethyl-pyrimidin-5-yl)-methanone::CHEMBL140552 C-C chemokine receptor type 5 3.2 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495590 104017191 CHEMBL140552 ZINC27521630 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740023 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(Br)cc1 InChI=1S/C26H31BrCl2N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3 AJWURRMFQLSLOO-UHFFFAOYSA-N 50124946 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dichloro-1-oxy-pyridin-4-yl)-methanone::CHEMBL138640::CHEMBL164484 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124946&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495581 104017196 CHEMBL164484CHEMBL138640 ZINC27766823 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740024 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(NC(C)=O)nc1C)c1ccc(Br)cc1 InChI=1S/C29H39BrN6O3/c1-6-39-34-26(22-7-9-24(30)10-8-22)23-11-15-36(16-12-23)29(5)13-17-35(18-14-29)27(38)25-19(2)31-28(32-20(25)3)33-21(4)37/h7-10,23H,6,11-18H2,1-5H3,(H,31,32,33,37)/b34-26- RVSIQKYLHDJIHM-CLIDGEQKSA-N 50124962 CHEMBL140201::N-[5-(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-carbonyl)-4,6-dimethyl-pyrimidin-2-yl]-acetamide C-C chemokine receptor type 5 60 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124962&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495592 104017212 CHEMBL140201 ZINC27522384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740025 CC(C)O\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O2/c1-19(2)36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(5)12-16-33(17-13-28)27(35)25-20(3)30-18-31-21(25)4/h6-9,18-19,23H,10-17H2,1-5H3/b32-26- YVUXSGDWYIMNBA-FSRJSHLRSA-N 50124959 (4-{(4-Bromo-phenyl)-[(E)-isopropoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL140912 C-C chemokine receptor type 5 3.3 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124959&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495588 104017209 CHEMBL140912 ZINC27522616 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740026 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC1CC1)\c1ccc(Br)cc1 InChI=1S/C29H38BrN5O2/c1-20-26(21(2)32-19-31-20)28(36)34-16-12-29(3,13-17-34)35-14-10-24(11-15-35)27(33-37-18-22-4-5-22)23-6-8-25(30)9-7-23/h6-9,19,22,24H,4-5,10-18H2,1-3H3/b33-27- NGAOJNZRRJWLEC-KGGMANCPSA-N 50124960 (4-{(4-Bromo-phenyl)-[(E)-cyclopropylmethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL344435 C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495587 104017210 CHEMBL344435 ZINC27518832 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740027 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC(F)(F)F)\c1ccc(Br)cc1 InChI=1S/C27H33BrF3N5O2/c1-18-23(19(2)33-17-32-18)25(37)35-14-10-26(3,11-15-35)36-12-8-21(9-13-36)24(34-38-16-27(29,30)31)20-4-6-22(28)7-5-20/h4-7,17,21H,8-16H2,1-3H3/b34-24- ZERPEGMBBREZSL-BCJTWVECSA-N 50124952 (4-{(4-Bromo-phenyl)-[(E)-2,2,2-trifluoro-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL141201 C-C chemokine receptor type 5 14 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124952&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495585 104017202 CHEMBL141201 ZINC27519867 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740028 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(OC)nc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O3/c1-6-37-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(36-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25- PUXUJRVJBWERSP-MKCFTUBBSA-N 50124963 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-methoxy-4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL343520 C-C chemokine receptor type 5 5.3 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124963&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495596 104017213 CHEMBL343520 ZINC27519860 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740029 CCCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O2/c1-5-18-36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(4)12-16-33(17-13-28)27(35)25-20(2)30-19-31-21(25)3/h6-9,19,23H,5,10-18H2,1-4H3/b32-26- LCYVMIYCEGOZNC-FSRJSHLRSA-N 50124958 (4-{(4-Bromo-phenyl)-[(E)-propoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL140390 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124958&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495584 104017208 CHEMBL140390 ZINC27522040 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50740030 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(Br)cc1 InChI=1S/C27H37BrN6O2/c1-5-36-32-24(20-6-8-22(28)9-7-20)21-10-14-34(15-11-21)27(4)12-16-33(17-13-27)25(35)23-18(2)30-26(29)31-19(23)3/h6-9,21H,5,10-17H2,1-4H3,(H2,29,30,31)/b32-24- QXCCLDOGZNCHDB-TZHWMEPESA-N 50124950 (2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-{(4-bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL141683 C-C chemokine receptor type 5 5.7 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124950&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495591 104017200 CHEMBL141683 ZINC27519509 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815162 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O2/c1-19-5-4-6-23(29)24(19)26(33)31-17-13-27(2,14-18-31)32-15-11-21(12-16-32)25(30-34-3)20-7-9-22(28)10-8-20/h4-10,21H,11-18,29H2,1-3H3/b30-25- SIGNOFGQWWUQJS-JVCXMKTPSA-N 50134063 (2-Amino-6-methyl-phenyl)-(4-{(4-bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL139029 C-C chemokine receptor type 5 4.5 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134063&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479852 104024768 CHEMBL139029 ZINC27519842 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815163 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26- VCJCJIKWNXQAAJ-BXVZCJGGSA-N 50104929 (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(E/Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL112760 C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104929&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479845 104000726 CHEMBL112760 ZINC13474985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815164 CC(C)CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C29H40BrN5O2/c1-20(2)18-37-33-27(23-6-8-25(30)9-7-23)24-10-14-35(15-11-24)29(5)12-16-34(17-13-29)28(36)26-21(3)31-19-32-22(26)4/h6-9,19-20,24H,10-18H2,1-5H3/b33-27- DOLSMZFVDFFPFE-KGGMANCPSA-N 50124942 (4-{(4-Bromo-phenyl)-[(E)-isobutoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL341758 C-C chemokine receptor type 5 8.1 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124942&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495586 104017192 CHEMBL341758 ZINC27521641 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815165 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)c[n+]([O-])cc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O2/c1-19-16-34(37)17-20(2)25(19)26(36)32-12-10-27(5,11-13-32)33-14-15-35(21(3)18-33)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-9,16-17,21-22H,10-15,18H2,1-5H3/t21-,22-/m0/s1 QVDCSAIULQECDK-VXKWHMMOSA-N 50123447 (3,5-Dimethyl-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL141699 C-C chemokine receptor type 5 18 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123447&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462989 104015956 CHEMBL141699 ZINC22927060 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815166 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccc[n+]1[O-])c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-4-35-29-24(21-7-9-23(28)10-8-21)22-11-16-31(17-12-22)27(3)13-18-30(19-14-27)26(33)25-20(2)6-5-15-32(25)34/h5-10,15,22H,4,11-14,16-19H2,1-3H3 HSAKOKPUPOVOFH-UHFFFAOYSA-N 50134067 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3-methyl-1-oxy-pyridin-2-yl)-methanone::CHEMBL139607 C-C chemokine receptor type 5 16 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134067&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496112 104024772 CHEMBL139607 ZINC27523069 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815167 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(Br)cc1 InChI=1S/C27H34BrN3O3/c1-19-5-4-6-23(32)24(19)26(33)30-17-13-27(2,14-18-30)31-15-11-21(12-16-31)25(29-34-3)20-7-9-22(28)10-8-20/h4-10,21,32H,11-18H2,1-3H3/b29-25- JLFLNZCJUVHUGI-GNVQSUKOSA-N 50134066 (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-hydroxy-6-methyl-phenyl)-methanone::CHEMBL139459 C-C chemokine receptor type 5 18 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134066&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479851 104024771 CHEMBL139459 ZINC27518856 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815168 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(cc1)C(F)(F)F InChI=1S/C27H34ClF3N4O/c1-18-17-34(15-16-35(18)19(2)20-7-9-21(10-8-20)27(29,30)31)26(3)11-13-33(14-12-26)25(36)24-22(28)5-4-6-23(24)32/h4-10,18-19H,11-17,32H2,1-3H3/t18-,19-/m0/s1 SWRITPDTBCAFCK-OALUTQOASA-N 50104955 (2-Amino-6-chloro-phenyl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2-Amino-6-chloro-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL325276 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104955&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 461327 104000752 CHEMBL325276 ZINC22941894 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815169 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F InChI=1S/C26H31Cl2F3N4O/c1-17-16-34(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-33(11-9-25)24(36)23-21(27)14-32-15-22(23)28/h4-7,14-15,17-18H,8-13,16H2,1-3H3/t17-,18-/m0/s1 CAZKDDQXONGRTE-ROUUACIJSA-N 50123438 (3,5-Dichloro-pyridin-4-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140827 C-C chemokine receptor type 5 0.7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123438&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463616 104015947 CHEMBL140827 ZINC27520763 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815170 CC(C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN2O/c1-20-6-5-7-21(2)26(20)27(32)30-18-14-28(4,15-19-30)31-16-12-24(13-17-31)22(3)23-8-10-25(29)11-9-23/h5-11,22,24H,12-19H2,1-4H3 UHYXGTUWXYIOFH-UHFFFAOYSA-N 50115541 CHEMBL110871::{4-[1-(4-Bromo-phenyl)-ethyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 62 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115541&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511299 104009456 CHEMBL110871 ZINC13474982 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815171 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(F)cc1 InChI=1S/C28H37FN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 RKBTUANFFZVZKX-UHFFFAOYSA-N 50115536 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-fluoro-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL107999::CHEMBL141345 C-C chemokine receptor type 5 30 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115536&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579334 104009451 CHEMBL141345CHEMBL107999 ZINC13474997 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815172 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O/c1-18-17-35(15-16-36(18)21(4)23-7-9-24(10-8-23)28(29,30)31)27(6)11-13-34(14-12-27)26(37)25-19(2)32-22(5)33-20(25)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1 UMOFYSFQZJYWNT-RXVVDRJESA-N 50123442 (4-Methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-(2,4,6-trimethyl-pyrimidin-5-yl)-methanone::CHEMBL342137 C-C chemokine receptor type 5 10 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123442&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462571 104015951 CHEMBL342137 ZINC22927072 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815173 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(F)cccc1I)c1ccc(I)cc1 InChI=1S/C25H30FI2N3O/c1-17-16-30(14-15-31(17)18(2)19-6-8-20(27)9-7-19)21-10-12-29(13-11-21)25(32)24-22(26)4-3-5-23(24)28/h3-9,17-18,21H,10-16H2,1-2H3/t17-,18-/m0/s1 JXAPPEREGABNTD-ROUUACIJSA-N 50134064 (2-Fluoro-6-iodo-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140183 C-C chemokine receptor type 5 1300 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134064&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483746 104024769 CHEMBL140183 ZINC27517442 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815174 Cc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1 InChI=1S/C28H38N2O/c1-21-8-10-24(11-9-21)20-25-12-16-30(17-13-25)28(4)14-18-29(19-15-28)27(31)26-22(2)6-5-7-23(26)3/h5-11,25H,12-20H2,1-4H3 KXMNHKYDYLLZNM-UHFFFAOYSA-N 50115513 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL110786 C-C chemokine receptor type 5 110 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115513&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511295 104009428 CHEMBL110786 ZINC03594471 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815175 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)S(C)(=O)=O InChI=1S/C28H38N4O5S/c1-20-10-17-32(34)21(2)25(20)27(33)30-18-13-28(3,14-19-30)31-15-11-23(12-16-31)26(29-37-4)22-6-8-24(9-7-22)38(5,35)36/h6-10,17,23H,11-16,18-19H2,1-5H3 VPBHREZHCLGHFW-UHFFFAOYSA-N 50115535 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[(4-methanesulfonyl-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL138655::CHEMBL432636 C-C chemokine receptor type 5 30 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115535&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579328 104009450 CHEMBL138655CHEMBL432636 ZINC26849966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815176 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27- KFNRGFZWGOCXDB-QVTSOHHYSA-N 50104935 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(Z)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL331140 C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479843 104000732 CHEMBL331140 ZINC26985002 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815177 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1 InChI=1S/C26H31BrCl2N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24- KUJWYGAYGZNEMX-QLTSDVKISA-N 50134070 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dichloro-pyridin-4-yl)-methanone::CHEMBL335794 C-C chemokine receptor type 5 0.4 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134070&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6532434 104024775 CHEMBL335794 ZINC27518835 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815178 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)c[n+]([O-])cc1Br)c1ccc(Br)cc1 InChI=1S/C26H31Br3N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3 GBZPWPDNOXXZSC-UHFFFAOYSA-N 50124957 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dibromo-1-oxy-pyridin-4-yl)-methanone::CHEMBL162880::CHEMBL337776 C-C chemokine receptor type 5 0.7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579116 104017207 CHEMBL162880CHEMBL337776 ZINC27761366 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815179 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C29H38F3N3O/c1-20-7-6-8-21(2)26(20)27(36)33-15-13-28(5,14-16-33)34-17-18-35(22(3)19-34)23(4)24-9-11-25(12-10-24)29(30,31)32/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1 HMVJROBJYQFKLV-GOTSBHOMSA-N 50104954 (2,6-Dimethyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL115487 C-C chemokine receptor type 5 1 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104954&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456375 104000751 CHEMBL115487 ZINC22941891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815180 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(I)cc2)CC1 InChI=1S/C27H35IN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3 CPELYVWCRNINCS-UHFFFAOYSA-N 50115521 (2,6-Dimethyl-phenyl)-[4-(4-iodo-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL106406 C-C chemokine receptor type 5 33 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115521&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511303 104009436 CHEMBL106406 ZINC13474975 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815181 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Cl)cc2)CC1 InChI=1S/C27H35ClN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3 CHLLENYTSNHZGS-UHFFFAOYSA-N 50115534 4-[(4-Chlorophenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-1,4'-bipiperidine::CHEMBL106299::[4-(4-Chloro-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 68 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115534&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511294 104009449 CHEMBL106299 ZINC13474974 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815182 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1 InChI=1S/C28H35F3N2O2/c1-20-5-4-6-21(2)25(20)26(34)32-17-13-27(3,14-18-32)33-15-11-23(12-16-33)19-22-7-9-24(10-8-22)35-28(29,30)31/h4-10,23H,11-19H2,1-3H3 XRUMZMCHUHDEQQ-UHFFFAOYSA-N 50115546 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromethoxy-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL317476 C-C chemokine receptor type 5 55 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115546&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511305 104009461 CHEMBL317476 ZINC13474977 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815183 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(OC(F)(F)F)cc1 InChI=1S/C29H37F3N4O4/c1-5-39-33-26(22-6-8-24(9-7-22)40-29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 MTHXVPHSKKLNEE-UHFFFAOYSA-N 50115527 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-trifluoromethoxy-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL138274::CHEMBL318311 C-C chemokine receptor type 5 4.4 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115527&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579331 104009442 CHEMBL138274CHEMBL318311 ZINC26848746 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815184 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1 DTKUANPECHGGBY-UNMCSNQZSA-N 50104946 (2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL113436 C-C chemokine receptor type 5 2.3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104946&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 464036 104000743 CHEMBL113436 ZINC22941914 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815185 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(Br)cc1 InChI=1S/C27H37BrN6O2/c1-5-36-32-24(20-6-8-22(28)9-7-20)21-10-14-34(15-11-21)27(4)12-16-33(17-13-27)25(35)23-18(2)30-26(29)31-19(23)3/h6-9,21H,5,10-17H2,1-4H3,(H2,29,30,31)/b32-24- QXCCLDOGZNCHDB-TZHWMEPESA-N 50124950 (2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-{(4-bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL141683 C-C chemokine receptor type 5 5.7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124950&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495591 104017200 CHEMBL141683 ZINC27519509 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815186 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(I)cc2)CC1 InChI=1S/C25H32IN3O/c1-19-4-3-5-20(2)24(19)25(30)29-12-10-23(11-13-29)28-16-14-27(15-17-28)18-21-6-8-22(26)9-7-21/h3-9,23H,10-18H2,1-2H3 QRLCJGHAWBRZAF-UHFFFAOYSA-N 50104948 (2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-piperazin-1-yl]-piperidin-1-yl}-methanone::CHEMBL111982 C-C chemokine receptor type 5 440 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104948&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 461546 104000745 CHEMBL111982 ZINC22941880 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815187 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25- YZDKZEBRKKYLLA-JVCXMKTPSA-N 50134072 (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-pyridin-3-yl)-methanone::CHEMBL139559 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134072&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479841 104024777 CHEMBL139559 ZINC27523070 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815188 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)-c2ccccc2)CC1 InChI=1S/C33H40N2O/c1-25-8-7-9-26(2)31(25)32(36)34-22-18-33(3,19-23-34)35-20-16-28(17-21-35)24-27-12-14-30(15-13-27)29-10-5-4-6-11-29/h4-15,28H,16-24H2,1-3H3 PUZLCPWAFDYXST-UHFFFAOYSA-N 50115545 (4-Biphenyl-4-ylmethyl-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL106264 C-C chemokine receptor type 5 360 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115545&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511297 104009460 CHEMBL106264 ZINC13474979 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815189 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O2/c1-6-36-32-26(22-7-9-24(29)10-8-22)23-11-15-34(16-12-23)28(5)13-17-33(18-14-28)27(35)25-19(2)30-21(4)31-20(25)3/h7-10,23H,6,11-18H2,1-5H3/b32-26- UZJSKCQFXMKARM-FSRJSHLRSA-N 50124951 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4,6-trimethyl-pyrimidin-5-yl)-methanone::CHEMBL335120 C-C chemokine receptor type 5 2.1 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124951&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495589 104017201 CHEMBL335120 ZINC27520891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815190 CC(C)O\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O2/c1-19(2)36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(5)12-16-33(17-13-28)27(35)25-20(3)30-18-31-21(25)4/h6-9,18-19,23H,10-17H2,1-5H3/b32-26- YVUXSGDWYIMNBA-FSRJSHLRSA-N 50124959 (4-{(4-Bromo-phenyl)-[(E)-isopropoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL140912 C-C chemokine receptor type 5 3.3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124959&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495588 104017209 CHEMBL140912 ZINC27522616 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815191 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(=O)[nH]c1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-31-26(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)25-19(2)18-24(34)30-20(25)3/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-26- XXBAQSKVZOMDJH-ZXPTYKNPSA-N 50134073 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(6-hydroxy-2,4-dimethyl-pyridin-3-yl)-methanone::CHEMBL336246 C-C chemokine receptor type 5 7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134073&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496107 104024778 CHEMBL336246 ZINC27520445 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815192 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(NC(C)=O)nc1C)c1ccc(Br)cc1 InChI=1S/C29H39BrN6O3/c1-6-39-34-26(22-7-9-24(30)10-8-22)23-11-15-36(16-12-23)29(5)13-17-35(18-14-29)27(38)25-19(2)31-28(32-20(25)3)33-21(4)37/h7-10,23H,6,11-18H2,1-5H3,(H,31,32,33,37)/b34-26- RVSIQKYLHDJIHM-CLIDGEQKSA-N 50124962 CHEMBL140201::N-[5-(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-carbonyl)-4,6-dimethyl-pyrimidin-2-yl]-acetamide C-C chemokine receptor type 5 60 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124962&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495592 104017212 CHEMBL140201 ZINC27522384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815193 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(NS(C)(=O)=O)nc1C)c1ccc(Br)cc1 InChI=1S/C28H39BrN6O4S/c1-6-39-32-25(21-7-9-23(29)10-8-21)22-11-15-35(16-12-22)28(4)13-17-34(18-14-28)26(36)24-19(2)30-27(31-20(24)3)33-40(5,37)38/h7-10,22H,6,11-18H2,1-5H3,(H,30,31,33)/b32-25- KXNXHVHVBIUIPC-MKCFTUBBSA-N 50124954 CHEMBL342706::N-[5-(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-carbonyl)-4,6-dimethyl-pyrimidin-2-yl]-methanesulfonamide C-C chemokine receptor type 5 315 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124954&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495593 104017204 CHEMBL342706 ZINC27522382 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815194 CC(C)O\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C30H40BrN3O2/c1-21(2)36-32-28(24-9-11-26(31)12-10-24)25-13-17-34(18-14-25)30(5)15-19-33(20-16-30)29(35)27-22(3)7-6-8-23(27)4/h6-12,21,25H,13-20H2,1-5H3/b32-28- XEXZQYWUVMECQG-BLCKFSMSSA-N 50134075 (4-{(4-Bromo-phenyl)-[(E)-isopropoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL138975 C-C chemokine receptor type 5 4 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134075&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496101 104024780 CHEMBL138975 ZINC27519618 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815195 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Cl)cc1 InChI=1S/C28H37ClN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 DLDMOIDCLHDMPT-UHFFFAOYSA-N 50115548 CHEMBL343826::CHEMBL419735::{4-[(4-Chloro-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 5.6 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115548&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579333 104009463 CHEMBL343826CHEMBL419735 ZINC13474996 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815196 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1cccnc1)c1ccc(Br)cc1 InChI=1S/C26H33BrN4O2/c1-3-33-29-24(20-6-8-23(27)9-7-20)21-10-15-31(16-11-21)26(2)12-17-30(18-13-26)25(32)22-5-4-14-28-19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3/b29-24- OXWJECATMBDYIK-OLFWJLLRSA-N 50134077 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-pyridin-3-yl-methanone::CHEMBL140887 C-C chemokine receptor type 5 >30 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134077&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496106 104024782 CHEMBL140887 ZINC27520372 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815197 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc[n+]([O-])c1)c1ccc(Br)cc1 InChI=1S/C26H33BrN4O3/c1-3-34-28-24(20-6-8-23(27)9-7-20)21-10-15-30(16-11-21)26(2)12-17-29(18-13-26)25(32)22-5-4-14-31(33)19-22/h4-9,14,19,21H,3,10-13,15-18H2,1-2H3 ZUXIXEZANWTFBW-UHFFFAOYSA-N 50115552 CHEMBL107018::CHEMBL140922::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 >30 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115552&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579323 104009467 CHEMBL107018CHEMBL140922 ZINC13474993 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815198 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F InChI=1S/C29H37F3N4O3/c1-5-39-33-26(22-6-8-24(9-7-22)29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 XTHDDZXLYYZMNX-UHFFFAOYSA-N 50115549 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-trifluoromethyl-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL106533::CHEMBL261950 C-C chemokine receptor type 5 3.8 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115549&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579330 104009464 CHEMBL106533CHEMBL261950 ZINC26847918 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815199 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cncc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O/c1-19-16-32-17-20(2)25(19)26(36)33-12-10-27(5,11-13-33)34-14-15-35(21(3)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-9,16-17,21-22H,10-15,18H2,1-5H3/t21-,22-/m0/s1 ZFUXAIFGGCQFFK-VXKWHMMOSA-N 50123445 (3,5-Dimethyl-pyridin-4-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL138502 C-C chemokine receptor type 5 5.23 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123445&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462573 104015954 CHEMBL138502 ZINC22927055 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815200 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(I)cc1 InChI=1S/C26H34ClIN4O/c1-18-17-31(15-16-32(18)19(2)20-7-9-21(28)10-8-20)26(3)11-13-30(14-12-26)25(33)24-22(27)5-4-6-23(24)29/h4-10,18-19H,11-17,29H2,1-3H3/t18-,19-/m0/s1 QCDDKNCWCRNPEP-OALUTQOASA-N 50104953 (2-Amino-6-chloro-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Amino-6-chloro-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL113154 C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456323 104000750 CHEMBL113154 ZINC26995712 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815201 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)S(C)(=O)=O)CC1 InChI=1S/C28H38N2O3S/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(11-9-23)34(4,32)33/h5-11,24H,12-20H2,1-4H3 JYDQSSJQXSQYRG-UHFFFAOYSA-N 50115539 (2,6-Dimethyl-phenyl)-[4-(4-methanesulfonyl-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL106982 C-C chemokine receptor type 5 33 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115539&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511307 104009454 CHEMBL106982 ZINC03594458 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815202 CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(Cc2ccc(Br)cc2)CC1 InChI=1S/C29H33BrN2O/c1-29(32-17-13-23(14-18-32)21-22-9-11-25(30)12-10-22)15-19-31(20-16-29)28(33)27-8-4-6-24-5-2-3-7-26(24)27/h2-12,23H,13-21H2,1H3 IUDQPETVIOJOOE-UHFFFAOYSA-N 50134080 CHEMBL142022::[4-(4-Bromo-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-naphthalen-1-yl-methanone C-C chemokine receptor type 5 590 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134080&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483741 104024785 CHEMBL142022 ZINC27521999 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815203 COc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1 InChI=1S/C28H38N2O2/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3 LKDCAIVJHAMVHC-UHFFFAOYSA-N 50115523 (2,6-Dimethyl-phenyl)-[4-(4-methoxy-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-methanone::1'-(2,6-Dimethylbenzoyl)-4'-methyl-4-[(4-methoxyphenyl)methyl]-1,4'-bipiperidine::CHEMBL106369 C-C chemokine receptor type 5 155 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115523&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511306 104009438 CHEMBL106369 ZINC03594459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815204 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)c[n+]([O-])cc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-10-14-32(15-11-23)28(4)12-16-31(17-13-28)27(34)25-20(2)18-33(35)19-21(25)3/h6-9,18-19,23H,5,10-17H2,1-4H3 GOONFQIXEZVCEW-UHFFFAOYSA-N 50124945 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dimethyl-1-oxy-pyridin-4-yl)-methanone::CHEMBL137856::CHEMBL161664 C-C chemokine receptor type 5 8.80 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124945&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495580 104017195 CHEMBL161664CHEMBL137856 ZINC27749728 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815205 C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C27H36IN3O/c1-20-6-5-7-21(2)25(20)26(32)29-14-12-27(4,13-15-29)31-17-16-30(22(3)18-31)19-23-8-10-24(28)11-9-23/h5-11,22H,12-19H2,1-4H3/t22-/m0/s1 LEFAKKLOKFYYJX-QFIPXVFZSA-N 50104949 (2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl}-methanone::(2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl}-methanone::CHEMBL325556 C-C chemokine receptor type 5 8 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104949&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 484581 104000746 CHEMBL325556 ZINC26992898 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815206 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Nc1ccc(Br)cc1 InChI=1S/C26H34BrN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3 UWYRPZAYLGOTBK-UHFFFAOYSA-N 50104934 CHEMBL292625::[4-(4-Bromo-phenylamino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104934&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457871 104000731 CHEMBL292625 ZINC13560280 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815207 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(OC)nc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O3/c1-6-37-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(36-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25- PUXUJRVJBWERSP-MKCFTUBBSA-N 50124963 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-methoxy-4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL343520 C-C chemokine receptor type 5 5.3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124963&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495596 104017213 CHEMBL343520 ZINC27519860 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815208 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(cc2)C(F)(F)F)CC1 InChI=1S/C28H35F3N2O/c1-20-5-4-6-21(2)25(20)26(34)32-17-13-27(3,14-18-32)33-15-11-23(12-16-33)19-22-7-9-24(10-8-22)28(29,30)31/h4-10,23H,11-19H2,1-3H3 GZYLUVFSBIJQAU-UHFFFAOYSA-N 50115543 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-trifluoromethyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL107092 C-C chemokine receptor type 5 25 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115543&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511304 104009458 CHEMBL107092 ZINC13474976 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815209 CNC(=O)CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C30H39BrN4O3/c1-21-6-5-7-22(2)27(21)29(37)34-18-14-30(3,15-19-34)35-16-12-24(13-17-35)28(33-38-20-26(36)32-4)23-8-10-25(31)11-9-23/h5-11,24H,12-20H2,1-4H3,(H,32,36)/b33-28- AKFKVWRGZGPBHW-MDVFONAFSA-N 50134081 2-[1-(4-Bromo-phenyl)-1-[1'-(2,6-dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-meth-(E)-ylideneaminooxy]-N-methyl-acetamide::CHEMBL341928 C-C chemokine receptor type 5 33 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134081&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496103 104024786 CHEMBL341928 ZINC27522005 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815210 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Cl)cc1 InChI=1S/C27H35ClN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3 MIEXWOFJBWQLLQ-UHFFFAOYSA-N 50115518 CHEMBL106099::CHEMBL138143::{4-[(4-Chloro-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 24 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115518&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579329 104009433 CHEMBL106099CHEMBL138143 ZINC13474995 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815211 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(C)[nH]c1=O)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-31-25(21-6-8-23(29)9-7-21)22-10-14-33(15-11-22)28(4)12-16-32(17-13-28)27(35)24-19(2)18-20(3)30-26(24)34/h6-9,18,22H,5,10-17H2,1-4H3,(H,30,34)/b31-25- NSNVDTQEDMRJDI-GDWJVWIDSA-N 50134082 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-hydroxy-4,6-dimethyl-pyridin-3-yl)-methanone::CHEMBL138879 C-C chemokine receptor type 5 43 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134082&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496108 104024787 CHEMBL138879 ZINC27517509 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815212 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(O)c1ccc(Br)cc1 InChI=1S/C27H35BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22,25,31H,11-18H2,1-3H3 IYUGABYSRYTCQT-UHFFFAOYSA-N 50115524 CHEMBL323454::{4-[(4-Bromo-phenyl)-hydroxy-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 190 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511298 104009439 CHEMBL323454 ZINC03594469 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815213 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(cc1)C(F)(F)F InChI=1S/C28H35F6N5O/c1-17-16-38(14-15-39(17)20(4)21-6-8-22(9-7-21)27(29,30)31)26(5)10-12-37(13-11-26)24(40)23-18(2)35-25(28(32,33)34)36-19(23)3/h6-9,17,20H,10-16H2,1-5H3/t17-,20-/m0/s1 KUOUHUKIBBTXEV-PXNSSMCTSA-N 50123444 (4,6-Dimethyl-2-trifluoromethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL337820 C-C chemokine receptor type 5 10 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123444&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 502259 104015953 CHEMBL337820 ZINC27518916 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815214 CC(=O)c1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1 InChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3 PGHGXGPMAYCWGK-UHFFFAOYSA-N 50115514 1-{4-[1'-(2,6-Dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-ylmethyl]-phenyl}-ethanone::CHEMBL108845 C-C chemokine receptor type 5 596 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115514&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511308 104009429 CHEMBL108845 ZINC03594456 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50810883 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/jm010468s 10.7270/Q2CN74ND 11931608 Toogood, PL Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815112 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C1CC1)c1ccc(Br)cc1 InChI=1S/C30H40BrN5O2/c1-5-38-34-27(22-8-10-25(31)11-9-22)23-12-16-36(17-13-23)30(4)14-18-35(19-15-30)29(37)26-20(2)32-28(24-6-7-24)33-21(26)3/h8-11,23-24H,5-7,12-19H2,1-4H3/b34-27- NLVKIVNKNTXIBU-YLHCSOALSA-N 50124961 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-cyclopropyl-4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL139246 C-C chemokine receptor type 5 25 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495595 104017211 CHEMBL139246 ZINC27518089 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815113 CCOC(=O)CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C31H40BrN3O4/c1-5-38-27(36)21-39-33-29(24-9-11-26(32)12-10-24)25-13-17-35(18-14-25)31(4)15-19-34(20-16-31)30(37)28-22(2)7-6-8-23(28)3/h6-12,25H,5,13-21H2,1-4H3/b33-29- LUPDFQMYNBOGLB-IYOYZZHUSA-N 50134043 CHEMBL141802::[1-(4-Bromo-phenyl)-1-[1'-(2,6-dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-meth-(E)-ylideneaminooxy]-acetic acid ethyl ester C-C chemokine receptor type 5 33 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134043&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496102 104024748 CHEMBL141802 ZINC27519611 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815114 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC1CC1)\c1ccc(Br)cc1 InChI=1S/C29H38BrN5O2/c1-20-26(21(2)32-19-31-20)28(36)34-16-12-29(3,13-17-34)35-14-10-24(11-15-35)27(33-37-18-22-4-5-22)23-6-8-25(30)9-7-23/h6-9,19,22,24H,4-5,10-18H2,1-3H3/b33-27- NGAOJNZRRJWLEC-KGGMANCPSA-N 50124960 (4-{(4-Bromo-phenyl)-[(E)-cyclopropylmethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL344435 C-C chemokine receptor type 5 11 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495587 104017210 CHEMBL344435 ZINC27518832 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815115 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)-c1ccccc1)c1ccc(cc1)C(F)(F)F InChI=1S/C33H40F3N5O/c1-22-21-40(19-20-41(22)25(4)26-11-13-28(14-12-26)33(34,35)36)32(5)15-17-39(18-16-32)31(42)29-23(2)37-30(38-24(29)3)27-9-7-6-8-10-27/h6-14,22,25H,15-21H2,1-5H3/t22-,25-/m0/s1 QHHGCBRDJMDQEW-DHLKQENFSA-N 50123439 (4,6-Dimethyl-2-phenyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL344607 C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123439&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463319 104015948 CHEMBL344607 ZINC27519433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815116 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26- UCANOSVRVFBCJE-ZXPTYKNPSA-N 50134044 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-pyridin-3-yl)-methanone::CHEMBL138285 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134044&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5482298 104024749 CHEMBL138285 ZINC27519403 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815117 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(I)cc1 InChI=1S/C27H36IN3O2/c1-19-6-5-7-24(32)25(19)26(33)29-14-12-27(4,13-15-29)30-16-17-31(20(2)18-30)21(3)22-8-10-23(28)11-9-22/h5-11,20-21,32H,12-18H2,1-4H3/t20-,21-/m0/s1 KFQDPQKXTSWQOC-SFTDATJTSA-N 50104951 (2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Hydroxy-6-methyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL326020 C-C chemokine receptor type 5 7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104951&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462409 104000748 CHEMBL326020 ZINC26994007 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815118 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C28H35BrF3N5O2/c1-5-39-35-24(20-6-8-22(29)9-7-20)21-10-14-37(15-11-21)27(4)12-16-36(17-13-27)25(38)23-18(2)33-26(28(30,31)32)34-19(23)3/h6-9,21H,5,10-17H2,1-4H3/b35-24- NGPXNGHDMCPSGE-BGDIREAQSA-N 50124941 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-2-trifluoromethyl-pyrimidin-5-yl)-methanone::CHEMBL140552 C-C chemokine receptor type 5 3.2 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495590 104017191 CHEMBL140552 ZINC27521630 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815119 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(I)cc1 InChI=1S/C28H38IN3O/c1-20-7-6-8-21(2)26(20)27(33)30-15-13-28(5,14-16-30)31-17-18-32(22(3)19-31)23(4)24-9-11-25(29)12-10-24/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1 GLPXKCDPFDUVQT-GOTSBHOMSA-N 50104952 (2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL115716 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104952&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456372 104000749 CHEMBL115716 ZINC26996469 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815120 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OCC(F)(F)F)\c1ccc(Br)cc1 InChI=1S/C27H33BrF3N5O2/c1-18-23(19(2)33-17-32-18)25(37)35-14-10-26(3,11-15-35)36-12-8-21(9-13-36)24(34-38-16-27(29,30)31)20-4-6-22(28)7-5-20/h4-7,17,21H,8-16H2,1-3H3/b34-24- ZERPEGMBBREZSL-BCJTWVECSA-N 50124952 (4-{(4-Bromo-phenyl)-[(E)-2,2,2-trifluoro-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL141201 C-C chemokine receptor type 5 14 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124952&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495585 104017202 CHEMBL141201 ZINC27519867 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815121 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=O)c1ccc(Br)cc1 InChI=1S/C27H33BrN2O2/c1-19-5-4-6-20(2)24(19)26(32)29-17-13-27(3,14-18-29)30-15-11-22(12-16-30)25(31)21-7-9-23(28)10-8-21/h4-10,22H,11-18H2,1-3H3 FMNMLKWJLFYSMF-UHFFFAOYSA-N 50104939 (4-Bromo-phenyl)-[1'-(2,6-dimethyl-benzoyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-methanone::CHEMBL106209::[4-(4-Bromo-benzoyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 54 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457671 104000736 CHEMBL106209 ZINC13474980 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815122 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(cc1C)-c1ccncc1)c1ccc(Br)cc1 InChI=1S/C34H41BrN4O2/c1-5-41-37-32(27-6-8-30(35)9-7-27)28-12-18-39(19-13-28)34(4)14-20-38(21-15-34)33(40)31-24(2)22-29(23-25(31)3)26-10-16-36-17-11-26/h6-11,16-17,22-23,28H,5,12-15,18-21H2,1-4H3/b37-32- AKHBRWYRHRLXTB-FTTXPQLCSA-N 50134046 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-4-pyridin-4-yl-phenyl)-methanone::CHEMBL140484 C-C chemokine receptor type 5 0.1 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134046&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6532436 104024751 CHEMBL140484 ZINC03985540 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815123 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cncc1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-10-14-33(15-11-23)28(4)12-16-32(17-13-28)27(34)25-20(2)18-30-19-21(25)3/h6-9,18-19,23H,5,10-17H2,1-4H3/b31-26- KBSCLJAQJYVUQQ-ZXPTYKNPSA-N 50134047 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dimethyl-pyridin-4-yl)-methanone::CHEMBL137934 C-C chemokine receptor type 5 2.3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134047&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6533779 104024752 CHEMBL137934 ZINC27518836 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815124 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C26H34BrN5O2/c1-18-23(19(2)29-17-28-18)25(33)31-15-11-26(3,12-16-31)32-13-9-21(10-14-32)24(30-34-4)20-5-7-22(27)8-6-20/h5-8,17,21H,9-16H2,1-4H3/b30-24- YOVJVIUBJPWGOX-KRUMMXJUSA-N 50134045 (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL141202 C-C chemokine receptor type 5 4.7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134045&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495583 104024750 CHEMBL141202 ZINC27519869 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815125 CCCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O2/c1-5-18-36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(4)12-16-33(17-13-28)27(35)25-20(2)30-19-31-21(25)3/h6-9,19,23H,5,10-18H2,1-4H3/b32-26- LCYVMIYCEGOZNC-FSRJSHLRSA-N 50124958 (4-{(4-Bromo-phenyl)-[(E)-propoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL140390 C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124958&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495584 104017208 CHEMBL140390 ZINC27522040 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815126 CSc1ccc(CC2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cccc2C)cc1 InChI=1S/C28H38N2OS/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3 OQLJNIIPOOCAGL-UHFFFAOYSA-N 50115544 (2,6-Dimethyl-phenyl)-[4'-methyl-4-(4-methylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL110463 C-C chemokine receptor type 5 86 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115544&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511296 104009459 CHEMBL110463 ZINC13474978 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815127 C[C@H]1CN(CCN1Cc1ccc(I)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C InChI=1S/C26H34IN3O/c1-19-5-4-6-20(2)25(19)26(31)28-13-11-24(12-14-28)30-16-15-29(21(3)17-30)18-22-7-9-23(27)10-8-22/h4-10,21,24H,11-18H2,1-3H3/t21-/m0/s1 SXKBUSBIAWXPCP-NRFANRHFSA-N 50104961 (2,6-Dimethyl-phenyl)-{4-[(S)-4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-methanone::(2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-3-methyl-piperazin-1-yl]-piperidin-1-yl}-methanone::CHEMBL116008 C-C chemokine receptor type 5 30 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456647 104000758 CHEMBL116008 ZINC22941887 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815128 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)C(F)(F)F InChI=1S/C28H36F3N3O2/c1-19-6-5-7-24(35)25(19)26(36)32-14-12-27(4,13-15-32)33-16-17-34(20(2)18-33)21(3)22-8-10-23(11-9-22)28(29,30)31/h5-11,20-21,35H,12-18H2,1-4H3/t20-,21-/m0/s1 MUZZKZIHYIHBGE-SFTDATJTSA-N 50104944 (2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2-Hydroxy-6-methyl-phenyl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL111998 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104944&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 484577 104000741 CHEMBL111998 ZINC22941899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815129 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)S(C)(=O)=O InChI=1S/C29H40N4O5S/c1-6-38-30-27(23-7-9-25(10-8-23)39(5,36)37)24-12-16-32(17-13-24)29(4)14-19-31(20-15-29)28(34)26-21(2)11-18-33(35)22(26)3/h7-11,18,24H,6,12-17,19-20H2,1-5H3 XUKFFCVBZPYDCD-UHFFFAOYSA-N 50115537 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-methanesulfonyl-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL106558::CHEMBL138263 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115537&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579332 104009452 CHEMBL138263CHEMBL106558 ZINC26848148 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815130 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C27H37F3N6O/c1-17-16-35(14-15-36(17)20(4)21-6-8-22(9-7-21)27(28,29)30)26(5)10-12-34(13-11-26)24(37)23-18(2)32-25(31)33-19(23)3/h6-9,17,20H,10-16H2,1-5H3,(H2,31,32,33)/t17-,20-/m0/s1 MPGURQFCCSFBHA-PXNSSMCTSA-N 50123441 (2-Amino-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140490 C-C chemokine receptor type 5 38 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123441&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 474188 104015950 CHEMBL140490 ZINC22927081 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815131 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H35F3N4O3/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3 JOMKXVYAEOFACX-UHFFFAOYSA-N 50115531 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[methoxyimino-(4-trifluoromethyl-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL141301::CHEMBL320502 C-C chemokine receptor type 5 5.3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115531&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579326 104009446 CHEMBL141301CHEMBL320502 ZINC13474994 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815132 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCN(Cc2ccc(I)cc2)CC1 InChI=1S/C26H34IN3O/c1-20-5-4-6-21(2)24(20)25(31)29-13-11-26(3,12-14-29)30-17-15-28(16-18-30)19-22-7-9-23(27)10-8-22/h4-10H,11-19H2,1-3H3 PJNAHFJXUCOBEV-UHFFFAOYSA-N 50104960 (2,6-Dimethyl-phenyl)-{4-[4-(4-iodo-benzyl)-piperazin-1-yl]-4-methyl-piperidin-1-yl}-methanone::CHEMBL113648 C-C chemokine receptor type 5 62 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456298 104000757 CHEMBL113648 ZINC22941884 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815133 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(Br)cc1 InChI=1S/C26H32BrClN4O2/c1-26(12-16-31(17-13-26)25(33)23-21(28)4-3-5-22(23)29)32-14-10-19(11-15-32)24(30-34-2)18-6-8-20(27)9-7-18/h3-9,19H,10-17,29H2,1-2H3/b30-24- KHXJCLMSOWKPMR-KRUMMXJUSA-N 50134050 (2-Amino-6-chloro-phenyl)-(4-{(4-bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL337340 C-C chemokine receptor type 5 3.4 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134050&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479842 104024755 CHEMBL337340 ZINC27518694 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815134 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(OC(F)(F)F)cc1 InChI=1S/C28H35F3N4O4/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)39-28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3 YQCLAYRIYWYIKH-UHFFFAOYSA-N 50115522 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[methoxyimino-(4-trifluoromethoxy-phenyl)-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL106813::CHEMBL341945 C-C chemokine receptor type 5 7.6 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115522&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579327 104009437 CHEMBL341945CHEMBL106813 ZINC26848826 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815135 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(cc1)S(C)(=O)=O InChI=1S/C27H37ClN4O3S/c1-19-18-31(16-17-32(19)20(2)21-8-10-22(11-9-21)36(4,34)35)27(3)12-14-30(15-13-27)26(33)25-23(28)6-5-7-24(25)29/h5-11,19-20H,12-18,29H2,1-4H3/t19-,20-/m0/s1 NIQFKQNWLGIKCV-PMACEKPBSA-N 50104958 (2-Amino-6-chloro-phenyl)-(4-{(S)-4-[(S)-1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Amino-6-chloro-phenyl)-(4-{4-[1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL113042 C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104958&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 484579 104000755 CHEMBL113042 ZINC22941906 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815136 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(F)cccc1C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C28H32BrF4N3O2/c1-3-38-34-25(19-7-9-21(29)10-8-19)20-11-15-36(16-12-20)27(2)13-17-35(18-14-27)26(37)24-22(28(31,32)33)5-4-6-23(24)30/h4-10,20H,3,11-18H2,1-2H3/b34-25- XBGWFPDHOIKUGB-NQUVTRGKSA-N 50134056 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-fluoro-6-trifluoromethyl-phenyl)-methanone::CHEMBL423000 C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134056&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496099 104024761 CHEMBL423000 ZINC27519992 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815137 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=C)c1ccc(Br)cc1 InChI=1S/C28H35BrN2O/c1-20-6-5-7-21(2)26(20)27(32)30-18-14-28(4,15-19-30)31-16-12-24(13-17-31)22(3)23-8-10-25(29)11-9-23/h5-11,24H,3,12-19H2,1-2,4H3 ZPSNELIJNCRWKW-UHFFFAOYSA-N 50115542 CHEMBL107154::{4-[1-(4-Bromo-phenyl)-vinyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 8 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115542&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511309 104009457 CHEMBL107154 ZINC13474983 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815138 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(I)cc1 InChI=1S/C27H36IN3O/c1-19-6-5-7-20(2)26(19)27(32)29-14-12-25(13-15-29)30-16-17-31(21(3)18-30)22(4)23-8-10-24(28)11-9-23/h5-11,21-22,25H,12-18H2,1-4H3/t21-,22-/m0/s1 RYUYDSMTRQCJHP-VXKWHMMOSA-N 50104957 (2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL112659 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483744 104000754 CHEMBL112659 ZINC22454001 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815139 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(N=O)c1ccc(Br)cc1 InChI=1S/C27H34BrN3O2/c1-19-5-4-6-20(2)24(19)26(32)30-17-13-27(3,14-18-30)31-15-11-22(12-16-31)25(29-33)21-7-9-23(28)10-8-21/h4-10,22,25H,11-18H2,1-3H3 ALVZFSRLNGMOQD-UHFFFAOYSA-N 50115530 CHEMBL106468::CHEMBL342452::{4-[(4-Bromo-phenyl)-hydroxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 78 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115530&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 91932030 104009445 CHEMBL342452CHEMBL106468 ZINC13474987 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815140 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1 InChI=1S/C27H36BrN5O2/c1-5-35-31-25(21-6-8-23(28)9-7-21)22-10-14-33(15-11-22)27(4)12-16-32(17-13-27)26(34)24-19(2)29-18-30-20(24)3/h6-9,18,22H,5,10-17H2,1-4H3/b31-25- CUMNLLPTVALULI-GDWJVWIDSA-N 50134052 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL142021 C-C chemokine receptor type 5 2.2 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134052&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6532433 104024757 CHEMBL142021 ZINC27521997 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815141 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26- VCJCJIKWNXQAAJ-BXVZCJGGSA-N 50104929 (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(E/Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL112760 C-C chemokine receptor type 5 2.00 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104929&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479845 104000726 CHEMBL112760 ZINC13474985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815142 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27- KFNRGFZWGOCXDB-QVTSOHHYSA-N 50104935 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(Z)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL331140 C-C chemokine receptor type 5 2.00 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479843 104000732 CHEMBL331140 ZINC26985002 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815143 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[nH]c1=O)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-4-35-30-24(20-5-7-22(28)8-6-20)21-10-15-32(16-11-21)27(3)12-17-31(18-13-27)26(34)23-19(2)9-14-29-25(23)33/h5-9,14,21H,4,10-13,15-18H2,1-3H3,(H,29,33)/b30-24- UDYZLBDATCUMND-KRUMMXJUSA-N 50134053 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-hydroxy-4-methyl-pyridin-3-yl)-methanone::CHEMBL139253 C-C chemokine receptor type 5 >30 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496109 104024758 CHEMBL139253 ZINC27517674 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815144 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)cncc1Br)c1ccc(Br)cc1 InChI=1S/C26H31Br3N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24- RHCLUWBDZMYHPR-QLTSDVKISA-N 50134054 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dibromo-pyridin-4-yl)-methanone::CHEMBL335365 C-C chemokine receptor type 5 0.3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134054&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6532435 104024759 CHEMBL335365 ZINC27520893 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815145 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(SC)nc1C)c1ccc(Br)cc1 InChI=1S/C28H38BrN5O2S/c1-6-36-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(37-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25- FSFHABHUUMNWRC-MKCFTUBBSA-N 50124956 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-methanone::CHEMBL140418 C-C chemokine receptor type 5 1.3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495597 104017206 CHEMBL140418 ZINC27517930 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815146 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1ccc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-4-35-29-25(21-7-9-23(28)10-8-21)22-11-16-31(17-12-22)27(3)13-18-30(19-14-27)26(33)24-6-5-15-32(34)20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3 UZWDISBQLUFQNF-UHFFFAOYSA-N 50115516 CHEMBL107373::CHEMBL140283::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2-methyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 >30 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9579324 104009431 CHEMBL107373CHEMBL140283 ZINC26841692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815147 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(C)C)c1ccc(Br)cc1 InChI=1S/C30H42BrN5O2/c1-7-38-34-27(23-8-10-25(31)11-9-23)24-12-16-36(17-13-24)30(6)14-18-35(19-15-30)29(37)26-21(4)32-28(20(2)3)33-22(26)5/h8-11,20,24H,7,12-19H2,1-6H3/b34-27- BTOINGCBJQSGDU-YLHCSOALSA-N 50124944 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-isopropyl-4,6-dimethyl-pyrimidin-5-yl)-methanone::CHEMBL139701 C-C chemokine receptor type 5 43 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124944&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495594 104017194 CHEMBL139701 ZINC27522380 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815148 CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1cccnc1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O2/c1-4-34-30-25(21-7-9-23(28)10-8-21)22-11-16-32(17-12-22)27(3)13-18-31(19-14-27)26(33)24-6-5-15-29-20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b30-25- GXJXVSDXVMSAIP-JVCXMKTPSA-N 50134057 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2-methyl-pyridin-3-yl)-methanone::CHEMBL138028 C-C chemokine receptor type 5 26 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134057&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496105 104024762 CHEMBL138028 ZINC27518586 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815149 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/Oc1ccccc1)\c1ccc(Br)cc1 InChI=1S/C33H38BrN3O2/c1-24-8-7-9-25(2)30(24)32(38)36-22-18-33(3,19-23-36)37-20-16-27(17-21-37)31(26-12-14-28(34)15-13-26)35-39-29-10-5-4-6-11-29/h4-15,27H,16-23H2,1-3H3/b35-31- YPMFIWOXCFWBQO-LLZINOMRSA-N 50134058 (4-{(4-Bromo-phenyl)-[(E)-phenoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL140003 C-C chemokine receptor type 5 >30 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134058&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496104 104024763 CHEMBL140003 ZINC27522924 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815150 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)c1ccc(cc1)S(C)(=O)=O InChI=1S/C28H39N3O4S/c1-20-7-6-8-25(32)26(20)27(33)29-15-13-28(4,14-16-29)30-17-18-31(21(2)19-30)22(3)23-9-11-24(12-10-23)36(5,34)35/h6-12,21-22,32H,13-19H2,1-5H3/t21-,22-/m0/s1 DCQTZTFWQIEXHS-VXKWHMMOSA-N 50104959 (2-Hydroxy-6-methyl-phenyl)-(4-{(S)-4-[(S)-1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2-Hydroxy-6-methyl-phenyl)-(4-{4-[1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL112299 C-C chemokine receptor type 5 15 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104959&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 456339 104000756 CHEMBL112299 ZINC22941910 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815151 COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1 InChI=1S/C28H38F3N5O2/c1-18-17-35(15-16-36(18)21(4)22-7-9-23(10-8-22)28(29,30)31)27(5)11-13-34(14-12-27)25(37)24-19(2)32-26(38-6)33-20(24)3/h7-10,18,21H,11-17H2,1-6H3/t18-,21-/m0/s1 BUZVRSCZMYHLGQ-RXVVDRJESA-N 50123437 (2-Methoxy-4,6-dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL140706 C-C chemokine receptor type 5 11 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123437&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 463892 104015946 CHEMBL140706 ZINC22927076 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815152 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)Oc1ccc(Br)cc1 InChI=1S/C26H33BrN2O2/c1-19-5-4-6-20(2)24(19)25(30)28-17-13-26(3,14-18-28)29-15-11-23(12-16-29)31-22-9-7-21(27)8-10-22/h4-10,23H,11-18H2,1-3H3 URLJOVIBMPWIOI-UHFFFAOYSA-N 50104932 CHEMBL108569::[4-(4-Bromo-phenoxy)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 29 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104932&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457672 104000729 CHEMBL108569 ZINC13474984 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815153 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1 RQDGBNLSKUOAJD-SFTDATJTSA-N 50104956 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL322251 C-C chemokine receptor type 5 7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 511332 104000753 CHEMBL322251 ZINC22451716 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815154 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 ZGDKVKUWTCGYOA-UHFFFAOYSA-N 50104931 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4''''-methyl-[1,4'''']bipiperidinyl-1''''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::(4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone::3-(4-((4-bromophenyl)(ethoxyimino)methyl)-4''-methyl-1,4''-bipiperidine-1''-carbonyl)-1,2,4-trimethylpyridinium::CHEMBL336672::CHEMBL78535::SCH-351125::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 2.1 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104931&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574343 104000728 CHEMBL78535CHEMBL336672 802 ZINC03964224 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815155 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(cc1)C(F)(F)F InChI=1S/C26H31Cl2F3N4O2/c1-17-14-33(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-32(11-9-25)24(36)23-21(27)15-34(37)16-22(23)28/h4-7,15-18H,8-14H2,1-3H3/t17-,18-/m0/s1 JWRNDENHFBRQCM-ROUUACIJSA-N 50123436 (3,5-Dichloro-1-oxy-pyridin-4-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL334470 C-C chemokine receptor type 5 2.7 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123436&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 462395 104015945 CHEMBL334470 ZINC27518853 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815156 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Br)cc2)CC1 InChI=1S/C27H35BrN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3 ZVCMZXYHBQKEGX-UHFFFAOYSA-N 50104943 4-[(4-Bromophenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-1,4'-bipiperidine::CHEMBL106247::[4-(4-Bromo-benzyl)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 58 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104943&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 457875 104000740 CHEMBL106247 ZINC13474970 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815157 CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(Br)cc1 InChI=1S/C26H31BrCl2N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3 AJWURRMFQLSLOO-UHFFFAOYSA-N 50124946 (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(3,5-dichloro-1-oxy-pyridin-4-yl)-methanone::CHEMBL138640::CHEMBL164484 C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124946&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5495581 104017196 CHEMBL164484CHEMBL138640 ZINC27766823 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815158 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(=N/OC(C)(C)C)\c1ccc(Br)cc1 InChI=1S/C31H42BrN3O2/c1-22-8-7-9-23(2)27(22)29(36)34-20-16-31(6,17-21-34)35-18-14-25(15-19-35)28(33-37-30(3,4)5)24-10-12-26(32)13-11-24/h7-13,25H,14-21H2,1-6H3/b33-28- RYDCEMWPUOVZIA-MDVFONAFSA-N 50134061 (4-{(4-Bromo-phenyl)-[(E)-tert-butoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::CHEMBL337364 C-C chemokine receptor type 5 9 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134061&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5496100 104024766 CHEMBL337364 ZINC27520601 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815159 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(C)(=O)=O InChI=1S/C29H41N3O3S/c1-21-8-7-9-22(2)27(21)28(33)30-16-14-29(5,15-17-30)31-18-19-32(23(3)20-31)24(4)25-10-12-26(13-11-25)36(6,34)35/h7-13,23-24H,14-20H2,1-6H3/t23-,24-/m0/s1 IICSHLLWAXMCEQ-ZEQRLZLVSA-N 50104950 (2,6-Dimethyl-phenyl)-(4-{(S)-4-[(S)-1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::(2,6-Dimethyl-phenyl)-(4-{4-[1-(4-methanesulfonyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL113072 C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104950&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 484578 104000747 CHEMBL113072 ZINC22941902 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815160 CO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 InChI=1S/C27H35BrN4O3/c1-19-9-16-32(34)20(2)24(19)26(33)30-17-12-27(3,13-18-30)31-14-10-22(11-15-31)25(29-35-4)21-5-7-23(28)8-6-21/h5-9,16,22H,10-15,17-18H2,1-4H3 UIJWAUWNFOKGHC-UHFFFAOYSA-N 50104941 CHEMBL106098::CHEMBL138198::{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 19 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9574356 104000738 CHEMBL138198CHEMBL106098 ZINC26849134 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50815161 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1 HMBFXHIQISYDKM-RXVVDRJESA-N 50123435 (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL311795 C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm030265z 10.7270/Q2SB46GG 14521412 Debnath, AK Lindsley F. Kimball Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123435&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483747 104015944 CHEMBL311795 ZINC22453986 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853833 Cc1cccnc1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C29H35N5O/c1-23-8-6-17-31-27(23)28(35)32-20-14-29(2,15-21-32)33-18-12-25(13-19-33)34(24-9-4-3-5-10-24)26-11-7-16-30-22-26/h3-11,16-17,22,25H,12-15,18-21H2,1-2H3 KFPNMAHHOBQVHI-UHFFFAOYSA-N 50234724 (4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)(3-methylpyridin-2-yl)methanone::CHEMBL255431 C-C chemokine receptor type 5 6.5 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234724&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447733 104055986 CHEMBL255431 ZINC29040893 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853836 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O2/c1-24-14-21-34(37)25(2)29(24)30(36)32-22-17-31(3,18-23-32)33-19-15-28(16-20-33)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,21,28H,15-20,22-23H2,1-3H3 KFDHCUNXEPNTLZ-UHFFFAOYSA-N 50143750 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL556314 C-C chemokine receptor type 5 3.3 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008929 104032910 CHEMBL556314 ZINC13560301 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853839 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccccc1 InChI=1S/C33H39N5O2/c1-25-12-19-38(40)26(2)31(25)32(39)35-20-15-33(3,16-21-35)36-17-13-30(14-18-36)37(29-10-5-4-6-11-29)24-28-9-7-8-27(22-28)23-34/h4-12,19,22,30H,13-18,20-21,24H2,1-3H3 UALHUWYCEAVLAG-UHFFFAOYSA-N 50143734 3-({[1'-(2,4-Dimethyl-1-oxy-pyridine-3-carbonyl)-4'-methyl-[1,4']bipiperidinyl-4-yl]-phenyl-amino}-methyl)-benzonitrile::CHEMBL59511 C-C chemokine receptor type 5 0.6 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008904 104032894 CHEMBL59511 ZINC03943033 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853844 Cc1nc(CN(C2CCN(CC2)C2(C)CCN(CC2)C(=O)c2c(C)cc[n+]([O-])c2C)c2ccccc2)cs1 InChI=1S/C30H39N5O2S/c1-22-10-17-35(37)23(2)28(22)29(36)32-18-13-30(4,14-19-32)33-15-11-27(12-16-33)34(26-8-6-5-7-9-26)20-25-21-38-24(3)31-25/h5-10,17,21,27H,11-16,18-20H2,1-4H3 DNXMKFAIRKHJIZ-UHFFFAOYSA-N 50234727 2,4-dimethyl-1-oxy-pyridin-3-yl)-{4'-methyl-4-[(2-methyl-thiazol-4-ylmethyl)-phenyl-amino]-[1,4']bipiperidinyl-1'-yl}-methanone::CHEMBL255857 C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234727&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10186910 104055989 CHEMBL255857 ZINC29040901 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853845 CC1(CCN(CC1)C(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C28H31Cl2N5O/c1-28(11-16-33(17-12-28)27(36)26-24(29)19-32-20-25(26)30)34-14-9-22(10-15-34)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3 NEWOCKYIUSCKBX-UHFFFAOYSA-N 50234726 (3,5-dichloropyridin-4-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone::CHEMBL255644 C-C chemokine receptor type 5 0.8 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234726&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447734 104055988 CHEMBL255644 ZINC29040895 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853846 Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C30H37N5O/c1-23-11-17-32-24(2)28(23)29(36)33-20-14-30(3,15-21-33)34-18-12-26(13-19-34)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16-17,22,26H,12-15,18-21H2,1-3H3 HTTJCVMWSJWZID-UHFFFAOYSA-N 50234728 (2,4-dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone::CHEMBL255856 C-C chemokine receptor type 5 0.9 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234728&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10413034 104055990 CHEMBL255856 ZINC29040899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853850 CC1(CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C28H31Cl2N5O2/c1-28(11-16-32(17-12-28)27(36)26-24(29)19-34(37)20-25(26)30)33-14-9-22(10-15-33)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3 HGTYPLBMQNPFRJ-UHFFFAOYSA-N 50234725 (3,5-dichloro-1-oxy-pyridin-4-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255645 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234725&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280445 104055987 CHEMBL255645 ZINC29040897 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853857 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccn1 InChI=1S/C30H37N5O2/c1-23-12-20-34(37)24(2)28(23)29(36)32-21-15-30(3,16-22-32)33-18-13-26(14-19-33)35(25-9-5-4-6-10-25)27-11-7-8-17-31-27/h4-12,17,20,26H,13-16,18-19,21-22H2,1-3H3 QLHFHZYYINJDOP-UHFFFAOYSA-N 50234729 (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-2-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255646 C-C chemokine receptor type 5 1.8 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234729&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447735 104055991 CHEMBL255646 ZINC03943031 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853858 Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O2/c1-23-28(24(2)34(37)22-31-23)29(36)32-20-16-30(3,17-21-32)33-18-14-27(15-19-33)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 AZSCGFLVNBRMKE-UHFFFAOYSA-N 50143741 (4,6-dimethyl-1-oxy-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL58004 C-C chemokine receptor type 5 2.9 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008930 104032901 CHEMBL58004 ZINC03942459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853860 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3 DDVVRHNNOPQPGB-UHFFFAOYSA-N 50234723 (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255858 C-C chemokine receptor type 5 5.1 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234723&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10278617 104055985 CHEMBL255858 ZINC29040903 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853863 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C31H38N4O/c1-24-9-7-10-25(2)29(24)30(36)33-21-16-31(3,17-22-33)34-19-14-27(15-20-34)35(26-11-5-4-6-12-26)28-13-8-18-32-23-28/h4-13,18,23,27H,14-17,19-22H2,1-3H3 ZGCPJKJWPQSVFG-UHFFFAOYSA-N 50234732 (2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone::CHEMBL255429 C-C chemokine receptor type 5 0.5 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234732&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10163007 104055994 CHEMBL255429 ZINC29040887 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853866 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccncc1 InChI=1S/C31H38N4O/c1-24-8-7-9-25(2)29(24)30(36)33-22-16-31(3,17-23-33)34-20-14-28(15-21-34)35(26-10-5-4-6-11-26)27-12-18-32-19-13-27/h4-13,18-19,28H,14-17,20-23H2,1-3H3 SFGOPQWPBVPWRW-UHFFFAOYSA-N 50234731 (2,6-dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin-4-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone::CHEMBL255430 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234731&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447731 104055993 CHEMBL255430 ZINC29040889 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853870 CC1(CCN(CC1)C(=O)c1cccc2ccccc12)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C33H36N4O/c1-33(18-23-35(24-19-33)32(38)31-15-7-10-26-9-5-6-14-30(26)31)36-21-16-28(17-22-36)37(27-11-3-2-4-12-27)29-13-8-20-34-25-29/h2-15,20,25,28H,16-19,21-24H2,1H3 OYJCCUUCPLNDIZ-UHFFFAOYSA-N 50234730 (4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)(naphthalen-1-yl)methanone::CHEMBL401929 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234730&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44447732 104055992 CHEMBL401929 ZINC29040891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853871 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C32H39N3O/c1-25-11-10-12-26(2)30(25)31(36)33-23-19-32(3,20-24-33)34-21-17-29(18-22-34)35(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29H,17-24H2,1-3H3 NCDCQNWXYJMYAZ-UHFFFAOYSA-N 50143736 (2,6-Dimethyl-phenyl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,6-dimethylphenyl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL62152 C-C chemokine receptor type 5 2.6 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008917 104032896 CHEMBL62152 ZINC13560289 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853873 Cc1ccnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C31H38N4O/c1-24-14-19-32-25(2)29(24)30(36)33-22-17-31(3,18-23-33)34-20-15-28(16-21-34)35(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-14,19,28H,15-18,20-23H2,1-3H3 KFQMAIZBNWWGPO-UHFFFAOYSA-N 50143757 (2,4-Dimethyl-pyridin-3-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(2,4-dimethylpyridin-3-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL58387 C-C chemokine receptor type 5 2.3 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008927 104032917 CHEMBL58387 ZINC13560299 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853874 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C33H41N3O/c1-26-11-10-12-27(2)31(26)32(37)34-23-19-33(3,20-24-34)35-21-17-30(18-22-35)36(29-15-8-5-9-16-29)25-28-13-6-4-7-14-28/h4-16,30H,17-25H2,1-3H3 JBRPUKJNMGIQRP-UHFFFAOYSA-N 50143740 (4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone::CHEMBL301454::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 1.4 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008913 104032900 CHEMBL301454 ZINC13560286 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853877 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3 DDVVRHNNOPQPGB-UHFFFAOYSA-N 50234723 (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255858 C-C chemokine receptor type 5 16.2 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234723&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10278617 104055985 CHEMBL255858 ZINC29040903 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853879 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3 YFEPUDFZMYDTMF-UHFFFAOYSA-N 50143743 CHEMBL61536::[4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008902 104032903 CHEMBL61536 ZINC13560276 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853881 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1 InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3 DDVVRHNNOPQPGB-UHFFFAOYSA-N 50234723 (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4'-methyl-4-(phenyl-pyridin-3-yl-amino)-[1,4']bipiperidinyl-1'-yl]-methanone::CHEMBL255858 C-C chemokine receptor type 5 43.6 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50234723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50234723&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10278617 104055985 CHEMBL255858 ZINC29040903 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50853883 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1 InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3 LXIQLCKAIYEIEH-UHFFFAOYSA-N 50143756 (4,6-Dimethyl-pyrimidin-5-yl)-(4-diphenylamino-4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::(4,6-dimethylpyrimidin-5-yl)(4-(4-(diphenylamino)piperidin-1-yl)-4-methylpiperidin-1-yl)methanone::CHEMBL61424 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2008.01.108 10.7270/Q2NC6229 18267361 Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Novartis Institutes for BioMedical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50143756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50143756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3008928 104032916 CHEMBL61424 ZINC13560300 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839193 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33) FDWPPSXZXOZKJQ-UHFFFAOYSA-N 50190518 1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL536288::rac-1-Butyl-3-isobutyl-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 38 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190518&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491773 104073809 CHEMBL536288 ZINC32063524 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839197 CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1 OQSIIUVZTJSDNB-MHZLTWQESA-N 50190519 (3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL538084 C-C chemokine receptor type 5 610 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190519&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11598797 104073810 CHEMBL538084 ZINC35904178 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839199 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33) FDWPPSXZXOZKJQ-UHFFFAOYSA-N 50190518 1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL536288::rac-1-Butyl-3-isobutyl-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 270 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190518&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491773 104073809 CHEMBL536288 ZINC32063524 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839203 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 83 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839207 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30) OYYLRSIEFZQBJI-UHFFFAOYSA-N 50190523 1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540366 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190523&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10277467 104073814 CHEMBL540366 ZINC03989620 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839208 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33) VBONNDPACFTZMX-UHFFFAOYSA-N 50190513 (RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL556798 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190513&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491774 104073804 CHEMBL556798 ZINC03965128 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839209 CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33) KUHZERKUYOBQDZ-UHFFFAOYSA-N 50190524 3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557150::rac-3-Isobutyl-9-(4-phenoxybenzyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 17 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10228761 104073815 CHEMBL557150 ZINC38157780 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839211 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 170 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839214 CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m0/s1 OQSIIUVZTJSDNB-MHZLTWQESA-N 50190519 (3S)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL538084 C-C chemokine receptor type 5 300 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190519&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11598797 104073810 CHEMBL538084 ZINC35904178 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839216 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1 InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32) KSJFBUQQDKCVSE-UHFFFAOYSA-N 50190525 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-methoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557015::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dionehydrochloride C-C chemokine receptor type 5 4.5 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190525&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10117348 104073816 CHEMBL557015 ZINC34250074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839219 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 6.10 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839221 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33) VBONNDPACFTZMX-UHFFFAOYSA-N 50190513 (RS)-1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL556798 C-C chemokine receptor type 5 2.5 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190513&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491774 104073804 CHEMBL556798 ZINC03965128 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839222 CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1 OQSIIUVZTJSDNB-HHHXNRCGSA-N 50190515 (3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL537425 C-C chemokine receptor type 5 270 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11634966 104073806 CHEMBL537425 ZINC35975200 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839223 CCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m0/s1 FVSCJQKRVWEZKP-DEOSSOPVSA-N 50190514 (3S)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536063 C-C chemokine receptor type 5 2000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190514&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10184169 104073805 CHEMBL536063 ZINC06380231 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839227 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1 InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34) JJNYBXIEFAYFKB-UHFFFAOYSA-N 50190521 9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540108 C-C chemokine receptor type 5 11 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190521&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10208080 104073812 CHEMBL540108 ZINC38157779 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839228 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc3OCCOc3c2)CC1 InChI=1S/C25H37N3O4/c1-4-5-10-28-23(29)20(15-18(2)3)26-24(30)25(28)8-11-27(12-9-25)17-19-6-7-21-22(16-19)32-14-13-31-21/h6-7,16,18,20H,4-5,8-15,17H2,1-3H3,(H,26,30) OYYLRSIEFZQBJI-UHFFFAOYSA-N 50190523 1-butyl-9-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-(1,4-benzodioxane-6-yl)-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540366 C-C chemokine receptor type 5 170 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190523&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10277467 104073814 CHEMBL540366 ZINC03989620 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839229 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1 InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28) APZAJCZLYILDDW-UHFFFAOYSA-N 50190522 (RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL557199::rac-9-Benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 560 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190522&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10159218 104073813 CHEMBL557199 ZINC34350292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839233 CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33) KUHZERKUYOBQDZ-UHFFFAOYSA-N 50190524 3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557150::rac-3-Isobutyl-9-(4-phenoxybenzyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 500 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10228761 104073815 CHEMBL557150 ZINC38157780 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839243 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1 InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32) KSJFBUQQDKCVSE-UHFFFAOYSA-N 50190525 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-methoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557015::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dionehydrochloride C-C chemokine receptor type 5 120 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190525&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10117348 104073816 CHEMBL557015 ZINC34250074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839244 CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1 FVSCJQKRVWEZKP-XMMPIXPASA-N 50190512 (3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL535616 C-C chemokine receptor type 5 3000 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190512&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10205915 104073803 CHEMBL535616 ZINC06380232 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839247 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1 InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28) APZAJCZLYILDDW-UHFFFAOYSA-N 50190522 (RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL557199::rac-9-Benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 900 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190522&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10159218 104073813 CHEMBL557199 ZINC34350292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839248 CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C30H47N3O2/c1-2-20-33-28(34)27(24-26-16-10-6-11-17-26)31-29(35)30(33)18-22-32(23-19-30)21-12-4-3-7-13-25-14-8-5-9-15-25/h5,8-9,14-15,26-27H,2-4,6-7,10-13,16-24H2,1H3,(H,31,35)/t27-/m1/s1 OQSIIUVZTJSDNB-HHHXNRCGSA-N 50190515 (3R)-3-cyclohexylmethyl-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL537425 C-C chemokine receptor type 5 860 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190515&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11634966 104073806 CHEMBL537425 ZINC35975200 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839252 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 120 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839258 CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1 HJMJXSLZAFZRFV-HSZRJFAPSA-N 50190517 (3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL556188 C-C chemokine receptor type 5 7600 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190517&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10182763 104073808 CHEMBL556188 ZINC34393923 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839260 CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m0/s1 HJMJXSLZAFZRFV-QHCPKHFHSA-N 50190526 (3S)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL539854 C-C chemokine receptor type 5 3200 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190526&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10204589 104073817 CHEMBL539854 ZINC38157781 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50839268 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OCC=C)cc2)CC1 InChI=1S/C29H43N3O3/c1-3-5-17-32-27(33)26(21-23-9-7-6-8-10-23)30-28(34)29(32)15-18-31(19-16-29)22-24-11-13-25(14-12-24)35-20-4-2/h4,11-14,23,26H,2-3,5-10,15-22H2,1H3,(H,30,34) JJNYBXIEFAYFKB-UHFFFAOYSA-N 50190521 9-(4-allyloxyphenylmethyl)-1-butyl-3-cyclohexyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL540108 C-C chemokine receptor type 5 50 ChEMBL 10.1021/jm060051s 10.7270/Q2ZG6T1S 16821774 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190521&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10208080 104073812 CHEMBL540108 ZINC38157779 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847025 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26+/m1/s1 WUTCDIFLPLKLBC-FTJBHMTQSA-N 50198935 (R)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL557789 C-C chemokine receptor type 5 210 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10186729 104079713 CHEMBL557789 ZINC28817815 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847026 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 6.1 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847027 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1 KABRIFIVQZQNHA-FQLXRVMXSA-N 50198936 (R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536754 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728787 104079714 CHEMBL536754 C03491 ZINC28817819 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847028 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)/t26-/m1/s1 SBPSJQLYVXFZFV-AREMUKBSSA-N 50198937 (3R)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::(R)-1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536298 C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198937&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728785 104079715 CHEMBL536298 ZINC28817812 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847029 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26+/m0/s1 WUTCDIFLPLKLBC-IZZNHLLZSA-N 50198938 (S)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536751 C-C chemokine receptor type 5 68 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198938&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10208679 104079716 CHEMBL536751 ZINC28817816 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847030 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26+/m0/s1 WUTCDIFLPLKLBC-IZZNHLLZSA-N 50198938 (S)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536751 C-C chemokine receptor type 5 400 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198938&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10208679 104079716 CHEMBL536751 ZINC28817816 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847031 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1 WUTCDIFLPLKLBC-CLJLJLNGSA-N 50198939 (R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL559168 C-C chemokine receptor type 5 33 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16659334 104079717 CHEMBL559168 ZINC28817814 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847032 CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)/t26-/m0/s1 SBPSJQLYVXFZFV-SANMLTNESA-N 50198940 (3S)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::(S)-1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL556995 C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11569805 104079718 CHEMBL556995 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847033 CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O4/c1-4-5-17-32-26(33)25(20-28(2,3)35)30-27(34)29(32)15-18-31(19-16-29)21-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,25,35H,4-5,15-21H2,1-3H3,(H,30,34) IRXUDUAPLGUWQS-UHFFFAOYSA-N 50198941 1-butyl-3-(2-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL535172 C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728784 104079719 CHEMBL535172 ZINC28817810 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847034 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1 WUTCDIFLPLKLBC-CLJLJLNGSA-N 50198939 (R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL559168 C-C chemokine receptor type 5 3.5 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16659334 104079717 CHEMBL559168 ZINC28817814 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847035 CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O4/c1-4-5-17-32-26(33)25(20-28(2,3)35)30-27(34)29(32)15-18-31(19-16-29)21-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,25,35H,4-5,15-21H2,1-3H3,(H,30,34) IRXUDUAPLGUWQS-UHFFFAOYSA-N 50198941 1-butyl-3-(2-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL535172 C-C chemokine receptor type 5 79 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198941&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728784 104079719 CHEMBL535172 ZINC28817810 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847036 CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)/t26-/m0/s1 SBPSJQLYVXFZFV-SANMLTNESA-N 50198940 (3S)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::(S)-1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL556995 C-C chemokine receptor type 5 84 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11569805 104079718 CHEMBL556995 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847037 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)/t26-/m1/s1 SBPSJQLYVXFZFV-AREMUKBSSA-N 50198937 (3R)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::(R)-1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536298 C-C chemokine receptor type 5 29 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198937&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728785 104079715 CHEMBL536298 ZINC28817812 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847038 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26+/m1/s1 WUTCDIFLPLKLBC-FTJBHMTQSA-N 50198935 (R)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL557789 C-C chemokine receptor type 5 24 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198935&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10186729 104079713 CHEMBL557789 ZINC28817815 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847039 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847040 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1 KABRIFIVQZQNHA-FQLXRVMXSA-N 50198936 (R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536754 C-C chemokine receptor type 5 53 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728787 104079714 CHEMBL536754 C03491 ZINC28817819 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847041 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 94 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847043 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 8.3 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847044 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m0/s1 WUTCDIFLPLKLBC-UIOOFZCWSA-N 50198942 (S)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL558043 C-C chemokine receptor type 5 150 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198942&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728786 104079720 CHEMBL558043 ZINC28817817 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50847045 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m0/s1 WUTCDIFLPLKLBC-UIOOFZCWSA-N 50198942 (S)-1-butyl-3-((S)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL558043 C-C chemokine receptor type 5 53 ChEMBL 10.1016/j.bmcl.2006.10.084 10.7270/Q2XK8GCM 17118654 Nishizawa, R; Nishiyama, T; Hisaichi, K; Matsunaga, N; Minamoto, C; Habashita, H; Takaoka, Y; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198942&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728786 104079720 CHEMBL558043 ZINC28817817 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50860999 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1 InChI=1S/C29H37ClN6O/c1-20(2)28-33-32-21(3)36(28)27-18-25-14-15-26(19-27)34(25)16-7-17-35(24-8-5-4-6-9-24)29(37)31-23-12-10-22(30)11-13-23/h4-6,8-13,20,25-27H,7,14-19H2,1-3H3,(H,31,37)/t25-,26+,27+ JHNQKQRRXFXQGB-UQWUFBTJSA-N 50374072 CHEMBL272716 C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374072&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44454977 160853173 CHEMBL272716 ZINC29128392 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861000 COc1cccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nnc2C(C)C)c2ccccc2)c1 InChI=1S/C30H40N6O2/c1-21(2)29-33-32-22(3)36(29)27-19-25-14-15-26(20-27)34(25)16-9-17-35(24-11-6-5-7-12-24)30(37)31-23-10-8-13-28(18-23)38-4/h5-8,10-13,18,21,25-27H,9,14-17,19-20H2,1-4H3,(H,31,37)/t25-,26+,27+ SMSRZWPUWULUBO-UQWUFBTJSA-N 50374073 CHEMBL255854 C-C chemokine receptor type 5 53 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374073&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455033 160853174 CHEMBL255854 ZINC29128469 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861001 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(C)c1)c1ccccc1 InChI=1S/C30H40N6O/c1-21(2)29-33-32-23(4)36(29)28-19-26-14-15-27(20-28)34(26)16-9-17-35(25-12-6-5-7-13-25)30(37)31-24-11-8-10-22(3)18-24/h5-8,10-13,18,21,26-28H,9,14-17,19-20H2,1-4H3,(H,31,37)/t26-,27+,28+ FKCAMFNRBHONBH-KUMHGWDASA-N 50374074 CHEMBL257728 C-C chemokine receptor type 5 29 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374074&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455072 160853175 CHEMBL257728 ZINC29128526 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861002 CC(C)NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)c1ccccc1 InChI=1S/C26H40N6O/c1-18(2)25-29-28-20(5)32(25)24-16-22-12-13-23(17-24)30(22)14-9-15-31(26(33)27-19(3)4)21-10-7-6-8-11-21/h6-8,10-11,18-19,22-24H,9,12-17H2,1-5H3,(H,27,33)/t22-,23+,24+ YRYVZPIAIBHXNY-UBRQYEGLSA-N 50374075 CHEMBL402776 C-C chemokine receptor type 5 96 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374075&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455143 160853176 CHEMBL402776 ZINC29128638 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861003 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)C1CCCCC1)c1ccccc1 InChI=1S/C29H43N5O/c1-21(2)28-31-30-22(3)34(28)27-19-25-15-16-26(20-27)32(25)17-10-18-33(24-13-8-5-9-14-24)29(35)23-11-6-4-7-12-23/h5,8-9,13-14,21,23,25-27H,4,6-7,10-12,15-20H2,1-3H3/t25-,26+,27+ MITCPTXLKAUFRK-UQWUFBTJSA-N 50374076 CHEMBL256792 C-C chemokine receptor type 5 310 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374076&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455225 160853177 CHEMBL256792 ZINC29128742 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861004 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(C(=O)C1CCCCC1)c1ccccc1 InChI=1S/C28H41N5O/c1-20(2)27-30-29-21(3)33(27)26-18-24-14-15-25(19-26)31(24)16-17-32(23-12-8-5-9-13-23)28(34)22-10-6-4-7-11-22/h5,8-9,12-13,20,22,24-26H,4,6-7,10-11,14-19H2,1-3H3/t24-,25+,26+ HQDJEQYXYOVVSB-GPOLMCQNSA-N 50374077 CHEMBL255535 C-C chemokine receptor type 5 970 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374077&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455313 160853178 CHEMBL255535 ZINC29128892 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861005 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 InChI=1S/C29H36Cl2N6O/c1-19(2)28-34-33-20(3)37(28)24-17-22-13-14-23(18-24)35(22)15-8-16-36(21-9-5-4-6-10-21)29(38)32-26-12-7-11-25(30)27(26)31/h4-7,9-12,19,22-24H,8,13-18H2,1-3H3,(H,32,38)/t22-,23+,24+ LPUMYQIFRLFYJR-UBRQYEGLSA-N 50374078 CHEMBL272064 C-C chemokine receptor type 5 48 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374078&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44454972 160853179 CHEMBL272064 ZINC29128385 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861006 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 InChI=1S/C29H36Cl2N6O/c1-19(2)28-34-33-20(3)37(28)24-17-22-13-14-23(18-24)35(22)15-8-16-36(21-9-5-4-6-10-21)29(38)32-27-25(30)11-7-12-26(27)31/h4-7,9-12,19,22-24H,8,13-18H2,1-3H3,(H,32,38)/t22-,23+,24+ AIEICGJWVNJQPK-UBRQYEGLSA-N 50374079 CHEMBL404056 C-C chemokine receptor type 5 539 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374079&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44454975 160853180 CHEMBL404056 ZINC29128389 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861007 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1 InChI=1S/C29H37ClN6O/c1-20(2)28-33-32-21(3)36(28)27-18-25-13-14-26(19-27)34(25)15-8-16-35(24-11-5-4-6-12-24)29(37)31-23-10-7-9-22(30)17-23/h4-7,9-12,17,20,25-27H,8,13-16,18-19H2,1-3H3,(H,31,37)/t25-,26+,27+ ZSFWWXDTAGTEIQ-UQWUFBTJSA-N 50374080 CHEMBL271075 C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374080&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44454999 160853181 CHEMBL271075 ZINC29128427 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861008 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1Cl)c1ccccc1 InChI=1S/C29H37ClN6O/c1-20(2)28-33-32-21(3)36(28)25-18-23-14-15-24(19-25)34(23)16-9-17-35(22-10-5-4-6-11-22)29(37)31-27-13-8-7-12-26(27)30/h4-8,10-13,20,23-25H,9,14-19H2,1-3H3,(H,31,37)/t23-,24+,25+ LCJYASMACJYXNP-LNWKWYTESA-N 50374081 CHEMBL271076 C-C chemokine receptor type 5 100 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374081&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455001 160853182 CHEMBL271076 ZINC29128428 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861009 COc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nnc2C(C)C)c2ccccc2)cc1 InChI=1S/C30H40N6O2/c1-21(2)29-33-32-22(3)36(29)27-19-25-13-14-26(20-27)34(25)17-8-18-35(24-9-6-5-7-10-24)30(37)31-23-11-15-28(38-4)16-12-23/h5-7,9-12,15-16,21,25-27H,8,13-14,17-20H2,1-4H3,(H,31,37)/t25-,26+,27+ YZLDUGXGQUKXQJ-UQWUFBTJSA-N 50374082 CHEMBL402242 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374082&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455031 160853183 CHEMBL402242 ZINC29128467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861010 COc1ccccc1NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)c1ccccc1 InChI=1S/C30H40N6O2/c1-21(2)29-33-32-22(3)36(29)26-19-24-15-16-25(20-26)34(24)17-10-18-35(23-11-6-5-7-12-23)30(37)31-27-13-8-9-14-28(27)38-4/h5-9,11-14,21,24-26H,10,15-20H2,1-4H3,(H,31,37)/t24-,25+,26+ BIDHOLBHYBEPOD-GPOLMCQNSA-N 50374083 CHEMBL255855 C-C chemokine receptor type 5 381 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374083&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455034 160853184 CHEMBL255855 ZINC29128470 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861011 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 InChI=1S/C30H40N6O/c1-21(2)29-33-32-23(4)36(29)28-19-26-15-16-27(20-28)34(26)17-8-18-35(25-9-6-5-7-10-25)30(37)31-24-13-11-22(3)12-14-24/h5-7,9-14,21,26-28H,8,15-20H2,1-4H3,(H,31,37)/t26-,27+,28+ JUXBGMCJLYWPSS-KUMHGWDASA-N 50374084 CHEMBL257081 C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374084&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455069 160853185 CHEMBL257081 ZINC29128523 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861012 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1C)c1ccccc1 InChI=1S/C30H40N6O/c1-21(2)29-33-32-23(4)36(29)27-19-25-15-16-26(20-27)34(25)17-10-18-35(24-12-6-5-7-13-24)30(37)31-28-14-9-8-11-22(28)3/h5-9,11-14,21,25-27H,10,15-20H2,1-4H3,(H,31,37)/t25-,26+,27+ DUYQIPZSCJDDKS-UQWUFBTJSA-N 50374085 CHEMBL405634 C-C chemokine receptor type 5 271 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374085&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455103 160853186 CHEMBL405634 ZINC29128574 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861013 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NCc1ccccc1)c1ccccc1 InChI=1S/C30H40N6O/c1-22(2)29-33-32-23(3)36(29)28-19-26-15-16-27(20-28)34(26)17-10-18-35(25-13-8-5-9-14-25)30(37)31-21-24-11-6-4-7-12-24/h4-9,11-14,22,26-28H,10,15-21H2,1-3H3,(H,31,37)/t26-,27+,28+ VPFJSJRNUOALOS-KUMHGWDASA-N 50374086 CHEMBL272581 C-C chemokine receptor type 5 323 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374086&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455106 160853187 CHEMBL272581 ZINC29128578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861014 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1)c1ccccc1 InChI=1S/C29H38N6O/c1-21(2)28-32-31-22(3)35(28)27-19-25-15-16-26(20-27)33(25)17-10-18-34(24-13-8-5-9-14-24)29(36)30-23-11-6-4-7-12-23/h4-9,11-14,21,25-27H,10,15-20H2,1-3H3,(H,30,36)/t25-,26+,27+ PWCOKUZCBGXGGD-UQWUFBTJSA-N 50374087 CHEMBL272490 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374087&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455144 160853188 CHEMBL272490 ZINC29128639 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861015 CCCNC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)c1ccccc1 InChI=1S/C26H40N6O/c1-5-14-27-26(33)31(21-10-7-6-8-11-21)16-9-15-30-22-12-13-23(30)18-24(17-22)32-20(4)28-29-25(32)19(2)3/h6-8,10-11,19,22-24H,5,9,12-18H2,1-4H3,(H,27,33)/t22-,23+,24+ WBSRZJQISJYJIC-UBRQYEGLSA-N 50374088 CHEMBL411640 C-C chemokine receptor type 5 271 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374088&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455177 160853189 CHEMBL411640 ZINC29128687 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861016 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCC1)c1ccccc1 InChI=1S/C28H42N6O/c1-20(2)27-31-30-21(3)34(27)26-18-24-14-15-25(19-26)32(24)16-9-17-33(23-12-5-4-6-13-23)28(35)29-22-10-7-8-11-22/h4-6,12-13,20,22,24-26H,7-11,14-19H2,1-3H3,(H,29,35)/t24-,25+,26+ PAKDJVACSZEOLD-GPOLMCQNSA-N 50374089 CHEMBL272556 C-C chemokine receptor type 5 78 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374089&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455180 160853190 CHEMBL272556 ZINC29128692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861017 CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCCC1)c1ccccc1 InChI=1S/C29H44N6O/c1-21(2)28-32-31-22(3)35(28)27-19-25-15-16-26(20-27)33(25)17-10-18-34(24-13-8-5-9-14-24)29(36)30-23-11-6-4-7-12-23/h5,8-9,13-14,21,23,25-27H,4,6-7,10-12,15-20H2,1-3H3,(H,30,36)/t25-,26+,27+ KRWVPQRCPFINHU-UQWUFBTJSA-N 50374090 CHEMBL256584 C-C chemokine receptor type 5 31 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374090&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455223 160853191 CHEMBL256584 ZINC29128740 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50861018 CC(=O)N1CCc2c(C1)nc(C)n2[C@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1 InChI=1S/C33H39F3N6O2/c1-22-37-30-21-39(23(2)43)18-15-31(30)42(22)29-19-27-13-14-28(20-29)40(27)16-6-17-41(26-7-4-3-5-8-26)32(44)38-25-11-9-24(10-12-25)33(34,35)36/h3-5,7-12,27-29H,6,13-21H2,1-2H3,(H,38,44)/t27-,28+,29- GRXLRILPVAQNOX-PKQPGRETSA-N 50374091 CHEMBL257000 C-C chemokine receptor type 5 0.4 ChEMBL 10.1016/j.bmcl.2007.12.058 10.7270/Q2V125PH 18194864 Ernst, J; Dahl, R; Lum, C; Sebo, L; Urban, J; Miller, SG; Lundstrom, J K£mia, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50374091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50374091&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44455217 160853192 CHEMBL257000 ZINC29128735 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879273 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(cc1)C(F)(F)F InChI=1S/C31H40F3N3O2/c1-3-37(29(38)21-23-12-14-26(15-13-23)31(32,33)34)27-16-18-36(19-17-27)22(2)20-28(24-8-5-4-6-9-24)35-30(39)25-10-7-11-25/h4-6,8-9,12-15,22,25,27-28H,3,7,10-11,16-21H2,1-2H3,(H,35,39)/t22?,28-/m0/s1 UOMLSLXBNUUSBV-WNWQKLGWSA-N 50276500 CHEMBL456226::N-((1S)-3-(4-(N-ethyl-2-(4-(trifluoromethyl)phenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 0.48 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276500&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590634 104119635 CHEMBL456226 ZINC44352439 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879274 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(F)cc1 InChI=1S/C30H40FN3O2/c1-3-34(29(35)21-23-12-14-26(31)15-13-23)27-16-18-33(19-17-27)22(2)20-28(24-8-5-4-6-9-24)32-30(36)25-10-7-11-25/h4-6,8-9,12-15,22,25,27-28H,3,7,10-11,16-21H2,1-2H3,(H,32,36)/t22?,28-/m0/s1 BGCIDNAGNOLNPE-WNWQKLGWSA-N 50276501 CHEMBL461690::N-((1S)-3-(4-(N-ethyl-2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 0.94 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276501&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590635 104119636 CHEMBL461690 ZINC40867221 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879275 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1cccc(Cl)c1 InChI=1S/C30H40ClN3O2/c1-3-34(29(35)21-23-9-7-14-26(31)20-23)27-15-17-33(18-16-27)22(2)19-28(24-10-5-4-6-11-24)32-30(36)25-12-8-13-25/h4-7,9-11,14,20,22,25,27-28H,3,8,12-13,15-19,21H2,1-2H3,(H,32,36)/t22?,28-/m0/s1 BKSQFACSRZWUHK-WNWQKLGWSA-N 50276575 CHEMBL457044::N-((1S)-3-(4-(2-(3-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 1.54 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276575&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590682 104119687 CHEMBL457044 ZINC40380041 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879276 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C26H39N5O/c1-18(2)25-29-28-20(4)31(25)23-13-15-30(16-14-23)19(3)17-24(21-9-6-5-7-10-21)27-26(32)22-11-8-12-22/h5-7,9-10,18-19,22-24H,8,11-17H2,1-4H3,(H,27,32)/t19?,24-/m0/s1 PISDDJAHCRTSLZ-WIIYFNMSSA-N 50276091 CHEMBL469724::N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276091&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 42623163 104119401 CHEMBL469724 ZINC40892246 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879277 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl InChI=1S/C30H39Cl2N3O2/c1-3-35(29(36)19-24-12-13-25(31)20-27(24)32)26-14-16-34(17-15-26)21(2)18-28(22-8-5-4-6-9-22)33-30(37)23-10-7-11-23/h4-6,8-9,12-13,20-21,23,26,28H,3,7,10-11,14-19H2,1-2H3,(H,33,37)/t21?,28-/m0/s1 JLIFFPLWLAEVIL-QVWGJOIVSA-N 50276576 CHEMBL457960::N-((1S)-3-(4-(2-(2,4-dichlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 2.33 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276576&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590683 104119688 CHEMBL457960 ZINC44360953 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879278 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)OCc1ccccc1 InChI=1S/C30H41N3O3/c1-3-33(30(35)36-22-24-11-6-4-7-12-24)27-17-19-32(20-18-27)23(2)21-28(25-13-8-5-9-14-25)31-29(34)26-15-10-16-26/h4-9,11-14,23,26-28H,3,10,15-22H2,1-2H3,(H,31,34)/t23?,28-/m0/s1 HUXMKUMBJXCMBH-WOKNPCPGSA-N 50276685 CHEMBL461689::benzyl 1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl(ethyl)carbamate C-C chemokine receptor type 5 3.16 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590752 104119741 CHEMBL461689 ZINC40867216 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879279 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Oc1ccc(Cl)cc1 InChI=1S/C29H38ClN3O3/c1-3-33(29(35)36-26-14-12-24(30)13-15-26)25-16-18-32(19-17-25)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,25,27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1 TUKDLWNHHAZMOP-YQAGWJQESA-N 50276686 4-chlorophenyl 1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl(ethyl)carbamate::CHEMBL459567 C-C chemokine receptor type 5 3.4 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276686&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590753 104119742 CHEMBL459567 ZINC40865899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879280 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Oc1ccc(F)cc1 InChI=1S/C29H38FN3O3/c1-3-33(29(35)36-26-14-12-24(30)13-15-26)25-16-18-32(19-17-25)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,25,27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1 ZEONQRRAUWWTEG-YQAGWJQESA-N 50276734 4-fluorophenyl 1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl(ethyl)carbamate::CHEMBL518640 C-C chemokine receptor type 5 3.63 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590798 104119766 CHEMBL518640 ZINC40863472 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879281 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(C)cc1 InChI=1S/C31H43N3O2/c1-4-34(30(35)22-25-15-13-23(2)14-16-25)28-17-19-33(20-18-28)24(3)21-29(26-9-6-5-7-10-26)32-31(36)27-11-8-12-27/h5-7,9-10,13-16,24,27-29H,4,8,11-12,17-22H2,1-3H3,(H,32,36)/t24?,29-/m0/s1 DJELOVCIKWYXEF-PEFOLFAWSA-N 50276577 CHEMBL458157::N-((1S)-3-(4-(N-ethyl-2-p-tolylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 3.76 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276577&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590684 104119689 CHEMBL458157 ZINC40394069 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879283 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(F)cc1 InChI=1S/C29H38FN3O2/c1-3-33(29(35)24-12-14-25(30)15-13-24)26-16-18-32(19-17-26)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,26-27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1 ROMDHEDAKJAJKM-YQAGWJQESA-N 50276735 CHEMBL460628::N-(1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl)-N-ethyl-4-fluorobenzamide C-C chemokine receptor type 5 4.83 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590799 104119767 CHEMBL460628 ZINC40863477 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879284 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(OC)cc1 InChI=1S/C31H43N3O3/c1-4-34(30(35)22-24-13-15-28(37-3)16-14-24)27-17-19-33(20-18-27)23(2)21-29(25-9-6-5-7-10-25)32-31(36)26-11-8-12-26/h5-7,9-10,13-16,23,26-27,29H,4,8,11-12,17-22H2,1-3H3,(H,32,36)/t23?,29-/m0/s1 PNXKMCURLAXERN-IZCXSWDTSA-N 50276449 CHEMBL518794::N-((1S)-3-(4-(N-ethyl-2-(4-methoxyphenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276449&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590585 104119597 CHEMBL518794 ZINC40863784 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879285 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 InChI=1S/C27H39F2N5O/c1-19(2)25-32-31-20(3)34(25)23-11-16-33(17-12-23)18-13-24(21-7-5-4-6-8-21)30-26(35)22-9-14-27(28,29)15-10-22/h4-8,19,22-24H,9-18H2,1-3H3,(H,30,35)/t24-/m0/s1 SFVYQDVYAMTRIX-DEOSSOPVSA-N 50276414 (S)-4,4-difluoro-N-(3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL459571 C-C chemokine receptor type 5 7.5 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276414&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590557 104119576 CHEMBL459571 ZINC40392520 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879286 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccccc1 InChI=1S/C30H41N3O2/c1-3-33(29(34)22-24-11-6-4-7-12-24)27-17-19-32(20-18-27)23(2)21-28(25-13-8-5-9-14-25)31-30(35)26-15-10-16-26/h4-9,11-14,23,26-28H,3,10,15-22H2,1-2H3,(H,31,35)/t23?,28-/m0/s1 NPIMTHZZVPIUQA-WOKNPCPGSA-N 50276631 CHEMBL514410::N-((1S)-3-(4-(N-ethyl-2-phenylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 13.4 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276631&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590717 104119714 CHEMBL514410 ZINC40848989 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879287 CCN([C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(OC)cc1 InChI=1S/C32H43N3O3/c1-3-34(31(36)20-23-12-16-29(38-2)17-13-23)28-21-26-14-15-27(22-28)35(26)19-18-30(24-8-5-4-6-9-24)33-32(37)25-10-7-11-25/h4-6,8-9,12-13,16-17,25-28,30H,3,7,10-11,14-15,18-22H2,1-2H3,(H,33,37)/t26-,27+,28+,30-/m0/s1 UGRYBQQJOKDQHB-CIXDGQAGSA-N 50276447 CHEMBL456019::N-((S)-3-((1R,3S,5S)-3-(N-ethyl-2-(4-methoxyphenyl)acetamido)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclobutanecarboxamide C-C chemokine receptor type 5 14 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276447&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590583 104119595 CHEMBL456019 ZINC44352608 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879288 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccccc1OC InChI=1S/C31H43N3O3/c1-4-34(30(35)22-26-13-8-9-16-29(26)37-3)27-17-19-33(20-18-27)23(2)21-28(24-11-6-5-7-12-24)32-31(36)25-14-10-15-25/h5-9,11-13,16,23,25,27-28H,4,10,14-15,17-22H2,1-3H3,(H,32,36)/t23?,28-/m0/s1 XJCBQLAEMHNXSC-WOKNPCPGSA-N 50276632 CHEMBL456224::N-((1S)-3-(4-(N-ethyl-2-(2-methoxyphenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 17.9 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276632&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590718 104119715 CHEMBL456224 ZINC40390905 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879289 CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1nc(C)no1 InChI=1S/C23H32N4O2/c1-16(27-13-11-20(12-14-27)23-24-17(2)26-29-23)15-21(18-7-4-3-5-8-18)25-22(28)19-9-6-10-19/h3-5,7-8,16,19-21H,6,9-15H2,1-2H3,(H,25,28)/t16?,21-/m0/s1 OFVRZICHCGTOPE-MRNPHLECSA-N 50276897 CHEMBL459599::N-((1S)-3-(4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 21.4 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276897&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590945 104119819 CHEMBL459599 ZINC40863384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879290 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(Cl)cc1 InChI=1S/C29H38ClN3O2/c1-3-33(29(35)24-12-14-25(30)15-13-24)26-16-18-32(19-17-26)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,26-27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1 LDNUDNVKCRWGIH-YQAGWJQESA-N 50276736 4-chloro-N-(1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl)-N-ethylbenzamide::CHEMBL460629 C-C chemokine receptor type 5 25.3 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590800 104119768 CHEMBL460629 ZINC40863481 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879291 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H37Cl2N3O2/c1-3-34(29(36)23-12-13-25(30)26(31)19-23)24-14-16-33(17-15-24)20(2)18-27(21-8-5-4-6-9-21)32-28(35)22-10-7-11-22/h4-6,8-9,12-13,19-20,22,24,27H,3,7,10-11,14-18H2,1-2H3,(H,32,35)/t20?,27-/m0/s1 JRDUTWSFVKMJDC-OHMHCFLMSA-N 50276737 3,4-dichloro-N-(1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl)-N-ethylbenzamide::CHEMBL459378 C-C chemokine receptor type 5 33.7 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590801 104119769 CHEMBL459378 ZINC40392925 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879292 CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1c(C)nnc1C InChI=1S/C24H35N5O/c1-17(28-14-12-22(13-15-28)29-18(2)26-27-19(29)3)16-23(20-8-5-4-6-9-20)25-24(30)21-10-7-11-21/h4-6,8-9,17,21-23H,7,10-16H2,1-3H3,(H,25,30)/t17?,23-/m0/s1 ZHSPLCRKVQNOGM-VXLWULRPSA-N 50276090 CHEMBL469542::N-((1S)-3-(4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 37.5 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276090&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590230 104119400 CHEMBL469542 ZINC40394937 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879293 COc1ccc(CC(=O)NC2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)cc1 InChI=1S/C28H37N3O3/c1-34-25-12-10-21(11-13-25)20-27(32)29-24-14-17-31(18-15-24)19-16-26(22-6-3-2-4-7-22)30-28(33)23-8-5-9-23/h2-4,6-7,10-13,23-24,26H,5,8-9,14-20H2,1H3,(H,29,32)(H,30,33)/t26-/m0/s1 ASIKSLWAHFCDDC-SANMLTNESA-N 50276448 (S)-N-(3-(4-(2-(4-methoxyphenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide::CHEMBL460630 C-C chemokine receptor type 5 48 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276448&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590584 104119596 CHEMBL460630 ZINC33972220 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879294 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(OC)cc1 InChI=1S/C30H41N3O3/c1-4-33(30(35)25-13-15-27(36-3)16-14-25)26-17-19-32(20-18-26)22(2)21-28(23-9-6-5-7-10-23)31-29(34)24-11-8-12-24/h5-7,9-10,13-16,22,24,26,28H,4,8,11-12,17-21H2,1-3H3,(H,31,34)/t22?,28-/m0/s1 QSYUMABLKKWHMQ-WNWQKLGWSA-N 50276806 CHEMBL518326::N-(1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl)-N-ethyl-4-methoxybenzamide C-C chemokine receptor type 5 64.4 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276806&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590862 104119796 CHEMBL518326 ZINC40864064 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879295 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C29H39N3O2/c1-3-32(29(34)25-13-8-5-9-14-25)26-17-19-31(20-18-26)22(2)21-27(23-11-6-4-7-12-23)30-28(33)24-15-10-16-24/h4-9,11-14,22,24,26-27H,3,10,15-21H2,1-2H3,(H,30,33)/t22?,27-/m0/s1 SJAHKAVMZZYMHY-ZUILJJEPSA-N 50276807 CHEMBL460008::N-(1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl)-N-ethylbenzamide C-C chemokine receptor type 5 73.5 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276807&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590863 104119797 CHEMBL460008 ZINC40864069 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879296 CC(C)c1noc(n1)C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C25H36N4O2/c1-17(2)23-27-25(31-28-23)21-12-14-29(15-13-21)18(3)16-22(19-8-5-4-6-9-19)26-24(30)20-10-7-11-20/h4-6,8-9,17-18,20-22H,7,10-16H2,1-3H3,(H,26,30)/t18?,22-/m0/s1 YXWWRPHSVBRJJH-YSYXNDDBSA-N 50276898 CHEMBL459600::N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 94.6 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276898&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590946 104119820 CHEMBL459600 ZINC40863389 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879299 CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1[nH]ncc1-c1ccncc1 InChI=1S/C28H35N5O/c1-20(18-26(22-6-3-2-4-7-22)31-28(34)24-8-5-9-24)33-16-12-23(13-17-33)27-25(19-30-32-27)21-10-14-29-15-11-21/h2-4,6-7,10-11,14-15,19-20,23-24,26H,5,8-9,12-13,16-18H2,1H3,(H,30,32)(H,31,34)/t20?,26-/m0/s1 XFUXIQVTGGYUOZ-GHZUAHJPSA-N 50276809 CHEMBL460217::N-((1S)-1-phenyl-3-(4-(4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)butyl)cyclobutanecarboxamide C-C chemokine receptor type 5 382 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276809&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590865 104119799 CHEMBL460217 ZINC40394108 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879300 CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1nnc(CN(C)C)o1 InChI=1S/C25H37N5O2/c1-18(16-22(19-8-5-4-6-9-19)26-24(31)20-10-7-11-20)30-14-12-21(13-15-30)25-28-27-23(32-25)17-29(2)3/h4-6,8-9,18,20-22H,7,10-17H2,1-3H3,(H,26,31)/t18?,22-/m0/s1 DIAMDXFHMNROML-YSYXNDDBSA-N 50276895 CHEMBL459598::N-((1S)-3-(4-(5-((dimethylamino)methyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 540 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276895&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590943 104119817 CHEMBL459598 ZINC40863054 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879303 CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1nnc(C)o1 InChI=1S/C23H32N4O2/c1-16(27-13-11-20(12-14-27)23-26-25-17(2)29-23)15-21(18-7-4-3-5-8-18)24-22(28)19-9-6-10-19/h3-5,7-8,16,19-21H,6,9-15H2,1-2H3,(H,24,28)/t16?,21-/m0/s1 QLGQRXYOSUSUDN-MRNPHLECSA-N 50276896 CHEMBL516939::N-((1S)-3-(4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 1849 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276896&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590944 104119818 CHEMBL516939 ZINC40393499 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879304 CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 InChI=1S/C29H36N4O2/c1-21(19-26(22-9-4-2-5-10-22)30-28(34)24-13-8-14-24)32-17-15-25(16-18-32)33-20-27(31-29(33)35)23-11-6-3-7-12-23/h2-7,9-12,20-21,24-26H,8,13-19H2,1H3,(H,30,34)(H,31,35)/t21?,26-/m0/s1 YUQVDSNVEXLLAE-UQTORGHUSA-N 50276808 CHEMBL460009::N-((1S)-3-(4-(2-oxo-4-phenyl-2,3-dihydro-1H-imidazol-1-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 2310 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276808&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590864 104119798 CHEMBL460009 ZINC40391573 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879307 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)N(C)c1ccccc1 InChI=1S/C30H42N4O2/c1-4-34(30(36)32(3)26-16-9-6-10-17-26)27-18-20-33(21-19-27)23(2)22-28(24-12-7-5-8-13-24)31-29(35)25-14-11-15-25/h5-10,12-13,16-17,23,25,27-28H,4,11,14-15,18-22H2,1-3H3,(H,31,35)/t23?,28-/m0/s1 SBNNDGTUZRHEAY-WOKNPCPGSA-N 50276684 CHEMBL461688::N-((1S)-3-(4-(1-ethyl-3-methyl-3-phenylureido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 6430 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276684&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590751 104119740 CHEMBL461688 ZINC40392056 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879308 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)C(C)(C)c1ccccc1 InChI=1S/C32H45N3O2/c1-5-35(31(37)32(3,4)27-17-10-7-11-18-27)28-19-21-34(22-20-28)24(2)23-29(25-13-8-6-9-14-25)33-30(36)26-15-12-16-26/h6-11,13-14,17-18,24,26,28-29H,5,12,15-16,19-23H2,1-4H3,(H,33,36)/t24?,29-/m0/s1 HUSIYLIXVFOCGJ-PEFOLFAWSA-N 50276633 CHEMBL456425::N-((1S)-3-(4-(N-ethyl-2-methyl-2-phenylpropanamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 >25000 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276633&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590719 104119716 CHEMBL456425 ZINC40380429 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879309 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1 InChI=1S/C30H40Cl2N4O2/c1-3-36(30(38)33-20-22-12-13-26(31)27(32)19-22)25-14-16-35(17-15-25)21(2)18-28(23-8-5-4-6-9-23)34-29(37)24-10-7-11-24/h4-6,8-9,12-13,19,21,24-25,28H,3,7,10-11,14-18,20H2,1-2H3,(H,33,38)(H,34,37)/t21?,28-/m0/s1 IOCVTFGTNVAJNQ-QVWGJOIVSA-N 50276634 CHEMBL515193::N-((1S)-3-(4-(3-(3,4-dichlorobenzyl)-1-ethylureido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 0.003 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276634&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590720 104119717 CHEMBL515193 ZINC42852115 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879310 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 InChI=1S/C30H39Cl2N3O2/c1-3-35(29(36)20-22-12-13-26(31)27(32)19-22)25-14-16-34(17-15-25)21(2)18-28(23-8-5-4-6-9-23)33-30(37)24-10-7-11-24/h4-6,8-9,12-13,19,21,24-25,28H,3,7,10-11,14-18,20H2,1-2H3,(H,33,37)/t21?,28-/m0/s1 ZAOPQQSGRPEDAY-QVWGJOIVSA-N 50276450 CHEMBL460845::N-((1S)-3-(4-(2-(3,4-dichlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 0.05 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276450&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590586 104119598 CHEMBL460845 ZINC44387966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879311 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C31H43N3O4S/c1-4-34(30(35)22-24-13-15-28(16-14-24)39(3,37)38)27-17-19-33(20-18-27)23(2)21-29(25-9-6-5-7-10-25)32-31(36)26-11-8-12-26/h5-7,9-10,13-16,23,26-27,29H,4,8,11-12,17-22H2,1-3H3,(H,32,36)/t23?,29-/m0/s1 PKPFNTFRQQQTRZ-IZCXSWDTSA-N 50276574 CHEMBL457043::N-((1S)-3-(4-(N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 0.07 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276574&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590681 104119686 CHEMBL457043 ZINC44360040 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879314 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 InChI=1S/C30H40ClN3O2/c1-3-34(29(35)21-23-12-14-26(31)15-13-23)27-16-18-33(19-17-27)22(2)20-28(24-8-5-4-6-9-24)32-30(36)25-10-7-11-25/h4-6,8-9,12-15,22,25,27-28H,3,7,10-11,16-21H2,1-2H3,(H,32,36)/t22?,28-/m0/s1 XCKZULXGGOOYNU-WNWQKLGWSA-N 50276499 CHEMBL459384::N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 0.34 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276499&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590633 104119634 CHEMBL459384 ZINC40393272 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879312 CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)NCc1ccccc1 InChI=1S/C30H42N4O2/c1-3-34(30(36)31-22-24-11-6-4-7-12-24)27-17-19-33(20-18-27)23(2)21-28(25-13-8-5-9-14-25)32-29(35)26-15-10-16-26/h4-9,11-14,23,26-28H,3,10,15-22H2,1-2H3,(H,31,36)(H,32,35)/t23?,28-/m0/s1 QLEJJPXFHLHHDG-WOKNPCPGSA-N 50276683 CHEMBL461687::N-((1S)-3-(4-(3-benzyl-1-ethylureido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide C-C chemokine receptor type 5 0.16 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276683&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44590750 104119739 CHEMBL461687 ZINC40867009 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879313 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/j.bmcl.2009.01.009 10.7270/Q27M08VH 19171484 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879805 CC(C)C(=O)N[C@@H](CC(C)N1CCC(CC1)n1c(C)nnc1C(C)C)c1ccccc1 InChI=1S/C25H39N5O/c1-17(2)24-28-27-20(6)30(24)22-12-14-29(15-13-22)19(5)16-23(26-25(31)18(3)4)21-10-8-7-9-11-21/h7-11,17-19,22-23H,12-16H2,1-6H3,(H,26,31)/t19?,23-/m0/s1 PBDSIYPGNYKTOA-BVHINDKJSA-N 50248269 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)isobutyramide::CHEMBL474154 C-C chemokine receptor type 5 3.11 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248269&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564887 104102962 CHEMBL474154 ZINC40898568 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879806 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)CC1CC1)c1ccccc1 InChI=1S/C26H39N5O/c1-18(2)26-29-28-20(4)31(26)23-12-14-30(15-13-23)19(3)16-24(22-8-6-5-7-9-22)27-25(32)17-21-10-11-21/h5-9,18-19,21,23-24H,10-17H2,1-4H3,(H,27,32)/t19?,24-/m0/s1 XKUZAOLNXRKIRL-WIIYFNMSSA-N 50248268 (+/-)-2-cyclopropyl-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)acetamide::CHEMBL515261 C-C chemokine receptor type 5 3.16 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248268&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564886 104102961 CHEMBL515261 ZINC40900046 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879807 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC1)c1ccccc1 InChI=1S/C25H37N5O/c1-17(2)24-28-27-19(4)30(24)22-12-14-29(15-13-22)18(3)16-23(20-8-6-5-7-9-20)26-25(31)21-10-11-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,26,31)/t18?,23-/m0/s1 QJNMZPAPGPGAOX-IMMUGOHXSA-N 50248321 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclopropanecarboxamide::CHEMBL472953 C-C chemokine receptor type 5 3.93 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248321&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564929 104103002 CHEMBL472953 ZINC40402234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879808 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCS(=O)CC1)c1ccccc1 InChI=1S/C27H41N5O2S/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-35(34)17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,23?,25-,35?/m0/s1 LEHOUXIHBMZBJZ-KDOBJBSRSA-N 50248382 (+/-)-1-Oxo-hexahydro-1lambda*4*-thiopyran-4-carboxylic acid{(S)-3-[4-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-piperidin-1-yl]-1-phenyl-butyl}-amide::CHEMBL523267 C-C chemokine receptor type 5 4.87 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248382&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564982 104103045 CHEMBL523267 ZINC40423212 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879809 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1ccccc1 InChI=1S/C27H41N5O3S/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-36(34,35)17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,25-/m0/s1 QSODJOCUZUUXMJ-KUXBLMNESA-N 50248383 (+/-)-1,1-Dioxo-hexahydro-1lambda*6*-thiopyran-4-carboxylic acid{(S)-3-[4-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-piperidin-1-yl]-1-phenyl-butyl}-amide::CHEMBL491153 C-C chemokine receptor type 5 6.12 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248383&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564983 104103046 CHEMBL491153 ZINC45506471 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879810 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCN(CC1)C(C)=O)c1ccccc1 InChI=1S/C29H44N6O2/c1-20(2)28-32-31-22(4)35(28)26-13-17-33(18-14-26)21(3)19-27(24-9-7-6-8-10-24)30-29(37)25-11-15-34(16-12-25)23(5)36/h6-10,20-21,25-27H,11-19H2,1-5H3,(H,30,37)/t21?,27-/m0/s1 IJHNPMJDKOVWNS-YQAGWJQESA-N 50248384 (+/-)-1-acetyl-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)piperidine-4-carboxamide::CHEMBL491154 C-C chemokine receptor type 5 28.7 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248384&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564984 104103047 CHEMBL491154 ZINC45506477 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879811 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)COCC(F)(F)F)c1ccccc1 InChI=1S/C25H36F3N5O2/c1-17(2)24-31-30-19(4)33(24)21-10-12-32(13-11-21)18(3)14-22(20-8-6-5-7-9-20)29-23(34)15-35-16-25(26,27)28/h5-9,17-18,21-22H,10-16H2,1-4H3,(H,29,34)/t18?,22-/m0/s1 DASFLNPMYWESNX-YSYXNDDBSA-N 50248267 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide::CHEMBL473353 C-C chemokine receptor type 5 52.8 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248267&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564885 104102960 CHEMBL473353 ZINC40404701 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879812 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)CC(F)(F)F)c1ccccc1 InChI=1S/C24H34F3N5O/c1-16(2)23-30-29-18(4)32(23)20-10-12-31(13-11-20)17(3)14-21(19-8-6-5-7-9-19)28-22(33)15-24(25,26)27/h5-9,16-17,20-21H,10-15H2,1-4H3,(H,28,33)/t17?,21-/m0/s1 XOOALDFZEUJNSR-LFABVHOISA-N 50248266 (+/-)-3,3,3-trifluoro-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)propanamide::CHEMBL473352 C-C chemokine receptor type 5 85.3 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248266&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564884 104102959 CHEMBL473352 ZINC40898970 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879813 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(C)=O)c1ccccc1 InChI=1S/C23H35N5O/c1-16(2)23-26-25-18(4)28(23)21-11-13-27(14-12-21)17(3)15-22(24-19(5)29)20-9-7-6-8-10-20/h6-10,16-17,21-22H,11-15H2,1-5H3,(H,24,29)/t17?,22-/m0/s1 YNOPQUVBQVNCRE-UGNFMNBCSA-N 50248212 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)acetamide::CHEMBL473348 C-C chemokine receptor type 5 89.2 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248212&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564835 104102914 CHEMBL473348 ZINC40897997 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879814 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCOCC1)c1ccccc1 InChI=1S/C27H41N5O2/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-34-17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,25-/m0/s1 XZMVBLCUSFQVNY-KUXBLMNESA-N 50248324 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)tetrahydro-2H-pyran-4-carboxamide::CHEMBL514000 C-C chemokine receptor type 5 164 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248324&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564931 104103005 CHEMBL514000 ZINC40913547 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879815 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)N1CCOCC1)c1ccccc1 InChI=1S/C26H40N6O2/c1-19(2)25-29-28-21(4)32(25)23-10-12-30(13-11-23)20(3)18-24(22-8-6-5-7-9-22)27-26(33)31-14-16-34-17-15-31/h5-9,19-20,23-24H,10-18H2,1-4H3,(H,27,33)/t20?,24-/m0/s1 PUGPDYKKGKTOQZ-JWIMYKKASA-N 50248437 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)morpholine-4-carboxamide::CHEMBL489323 C-C chemokine receptor type 5 176 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248437&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565035 104103092 CHEMBL489323 ZINC40423370 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879816 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)N1CCN(C)CC1)c1ccccc1 InChI=1S/C27H43N7O/c1-20(2)26-30-29-22(4)34(26)24-11-13-32(14-12-24)21(3)19-25(23-9-7-6-8-10-23)28-27(35)33-17-15-31(5)16-18-33/h6-10,20-21,24-25H,11-19H2,1-5H3,(H,28,35)/t21?,25-/m0/s1 HJYNPOYFJFVNCP-QBGQUKIHSA-N 50248438 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)-4-methylpiperazine-1-carboxamide::CHEMBL489512 C-C chemokine receptor type 5 187 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248438&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565036 104103093 CHEMBL489512 ZINC40423687 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879817 COC(=O)N[C@@H](CC(C)N1CCC(CC1)n1c(C)nnc1C(C)C)c1ccccc1 InChI=1S/C23H35N5O2/c1-16(2)22-26-25-18(4)28(22)20-11-13-27(14-12-20)17(3)15-21(24-23(29)30-5)19-9-7-6-8-10-19/h6-10,16-17,20-21H,11-15H2,1-5H3,(H,24,29)/t17?,21-/m0/s1 YQVJZAZAEVJHAM-LFABVHOISA-N 50248385 (+/-)-methyl(1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutylcarbamate::CHEMBL491328 C-C chemokine receptor type 5 315 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248385&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564985 104103048 CHEMBL491328 ZINC40950746 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879818 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18?,23-/m0/s1 FMROLDYZPAJDIZ-IMMUGOHXSA-N 50248440 (+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide::CHEMBL489513::CHEMBL491679 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248440&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565038 104103095 CHEMBL489513CHEMBL491679 ZINC40421339 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879819 CC(C)c1nnc(C)n1C1CCN(CC1)[C@@H](C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20-,25-/m0/s1 ITCCUUDZMVHYGN-CPJSRVTESA-N 50248482 4,4-difluoro-N-((1S,3S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclohexanecarboxamide::CHEMBL491320 C-C chemokine receptor type 5 49.9 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248482&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565081 104103133 CHEMBL491320 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879820 CC(C)c1nnc(C)n1C1CCN(CC1)[C@H](C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18-,23+/m1/s1 FMROLDYZPAJDIZ-JPYJTQIMSA-N 50248481 3,3-difluoro-N-((1S,3R)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide::CHEMBL491319 C-C chemokine receptor type 5 0.48 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248481&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565080 104103132 CHEMBL491319 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879821 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20?,25-/m0/s1 ITCCUUDZMVHYGN-KUXBLMNESA-N 50248439 (+/-)-4,4-difluoro-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclohexanecarboxamide::CHEMBL489324::CHEMBL522259 C-C chemokine receptor type 5 62 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248439&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565037 104103094 CHEMBL489324CHEMBL522259 ZINC42890075 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879822 CC(C)c1nc(C)nn1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-32-20(3)34-36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)33-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,33,37)/t23?,24?,25?,26-/m0/s1 PTUIAFZYMVYAII-ILVMPNSOSA-N 50248530 4,4-difluoro-N-((1S)-3-(3-(5-isopropyl-3-methyl-1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL455570 C-C chemokine receptor type 5 1.4 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248530&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565137 104103175 CHEMBL455570 ZINC40848233 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879827 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 0.2 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879828 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCCC1)c1ccccc1 InChI=1S/C27H41N5O/c1-19(2)26-30-29-21(4)32(26)24-14-16-31(17-15-24)20(3)18-25(22-10-6-5-7-11-22)28-27(33)23-12-8-9-13-23/h5-7,10-11,19-20,23-25H,8-9,12-18H2,1-4H3,(H,28,33)/t20?,25-/m0/s1 LRVJJFXKYYDGHP-KUXBLMNESA-N 50248322 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclopentanecarboxamide::CHEMBL473558 C-C chemokine receptor type 5 0.137 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248322&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11988311 104103003 CHEMBL473558 ZINC40915408 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879829 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18?,23-/m0/s1 FMROLDYZPAJDIZ-IMMUGOHXSA-N 50248440 (+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide::CHEMBL489513::CHEMBL491679 C-C chemokine receptor type 5 0.38 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248440&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565038 104103095 CHEMBL489513CHEMBL491679 ZINC40421339 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879830 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCCCC1)c1ccccc1 InChI=1S/C28H43N5O/c1-20(2)27-31-30-22(4)33(27)25-15-17-32(18-16-25)21(3)19-26(23-11-7-5-8-12-23)29-28(34)24-13-9-6-10-14-24/h5,7-8,11-12,20-21,24-26H,6,9-10,13-19H2,1-4H3,(H,29,34)/t21?,26-/m0/s1 QKLFGMIJZHWNQN-UQTORGHUSA-N 50248323 (+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclohexanecarboxamide::CHEMBL473759 C-C chemokine receptor type 5 0.513 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248323&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44564930 104103004 CHEMBL473759 ZINC40913543 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50879831 CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20?,25-/m0/s1 ITCCUUDZMVHYGN-KUXBLMNESA-N 50248439 (+/-)-4,4-difluoro-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclohexanecarboxamide::CHEMBL489324::CHEMBL522259 C-C chemokine receptor type 5 0.84 ChEMBL 10.1016/j.bmcl.2009.01.008 10.7270/Q2PN96JF 19185490 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248439&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565037 104103094 CHEMBL489324CHEMBL522259 ZINC42890075 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915697 COCC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(C)C1=O InChI=1S/C24H29N3O4/c1-26-22(28)21(17-30-2)25-23(29)24(26)12-14-27(15-13-24)16-18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3,(H,25,29) IKZGKLOVBPRCRQ-UHFFFAOYSA-N 50322264 CHEMBL1171103::rac-1-Butyl-3-(methoxymethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 320 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322264&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798920 104143793 CHEMBL1171103 ZINC53243414 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915698 CCCCN1C(=O)C(CC(O)=O)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C27H33N3O5/c1-2-3-15-30-25(33)23(18-24(31)32)28-26(34)27(30)13-16-29(17-14-27)19-20-9-11-22(12-10-20)35-21-7-5-4-6-8-21/h4-12,23H,2-3,13-19H2,1H3,(H,28,34)(H,31,32) PQDGHEFJNAQBCC-UHFFFAOYSA-N 50322265 CHEMBL1173204::rac-[1-Butyl-2,5-dioxo-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undec-3-yl]acetic acid hydrochloride C-C chemokine receptor type 5 >3000 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322265&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21926122 104143794 CHEMBL1173204 ZINC53244169 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915699 CCCCN1C(=O)C(CC(=O)OCc2ccccc2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C34H39N3O5/c1-2-3-20-37-32(39)30(23-31(38)41-25-27-10-6-4-7-11-27)35-33(40)34(37)18-21-36(22-19-34)24-26-14-16-29(17-15-26)42-28-12-8-5-9-13-28/h4-17,30H,2-3,18-25H2,1H3,(H,35,40) VOTLOSHWWAQODX-UHFFFAOYSA-N 50322266 CHEMBL1170660::rac-Benzyl [1-butyl-2,5-dioxo-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undec-3-yl]acetate hydrochloride C-C chemokine receptor type 5 590 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322266&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21927257 104143795 CHEMBL1170660 ZINC53230797 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915700 CCCCN1C(=O)C(CCCC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C34H47N3O3/c1-2-3-23-37-32(38)31(16-10-13-27-11-6-4-7-12-27)35-33(39)34(37)21-24-36(25-22-34)26-28-17-19-30(20-18-28)40-29-14-8-5-9-15-29/h5,8-9,14-15,17-20,27,31H,2-4,6-7,10-13,16,21-26H2,1H3,(H,35,39) UAFMNOKGJKMIFS-UHFFFAOYSA-N 50322267 CHEMBL1170661::rac-1-Butyl-3-(3-cyclohexylpropyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 >3000 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322267&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21926246 104143796 CHEMBL1170661 ZINC53244088 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915701 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccccc2)CC1 InChI=1S/C23H35N3O2/c1-4-5-13-26-21(27)20(16-18(2)3)24-22(28)23(26)11-14-25(15-12-23)17-19-9-7-6-8-10-19/h6-10,18,20H,4-5,11-17H2,1-3H3,(H,24,28) APZAJCZLYILDDW-UHFFFAOYSA-N 50190522 (RS)-9-benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::9-benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL557199::rac-9-Benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 900 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190522&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10159218 104073813 CHEMBL557199 ZINC34350292 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915702 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(OC)cc2)CC1 InChI=1S/C27H41N3O3/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32) KSJFBUQQDKCVSE-UHFFFAOYSA-N 50190525 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-methoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557015::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-methoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dionehydrochloride C-C chemokine receptor type 5 120 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190525&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10117348 104073816 CHEMBL557015 ZINC34250074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915703 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C33H45N3O3/c1-2-3-21-36-31(37)30(25-27-10-6-4-7-11-27)34-32(38)33(36)19-23-35(24-20-33)22-18-26-14-16-29(17-15-26)39-28-12-8-5-9-13-28/h5,8-9,12-17,27,30H,2-4,6-7,10-11,18-25H2,1H3,(H,34,38)/t30-/m0/s1 YUIPQNKGKYTLSD-PMERELPUSA-N 50322268 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[2-(4-phenoxyphenyl)ethyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1173642 C-C chemokine receptor type 5 >3000 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322268&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23577500 104143797 CHEMBL1173642 ZINC53246968 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915704 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(CC1)c1ccc(cc1)C(=O)OCC InChI=1S/C28H41N3O4/c1-3-5-17-31-25(32)24(20-21-9-7-6-8-10-21)29-27(34)28(31)15-18-30(19-16-28)23-13-11-22(12-14-23)26(33)35-4-2/h11-14,21,24H,3-10,15-20H2,1-2H3,(H,29,34) JIFAMUYNXPIZSI-UHFFFAOYSA-N 50322269 CHEMBL1173707::rac-Ethyl 4-[1-butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]benzoate hydrochloride C-C chemokine receptor type 5 >3000 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322269&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 22135856 104143798 CHEMBL1173707 ZINC53230581 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915705 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(CC1)C(=O)OCc1ccccc1 InChI=1S/C27H39N3O4/c1-2-3-16-30-24(31)23(19-21-10-6-4-7-11-21)28-25(32)27(30)14-17-29(18-15-27)26(33)34-20-22-12-8-5-9-13-22/h5,8-9,12-13,21,23H,2-4,6-7,10-11,14-20H2,1H3,(H,28,32) VTDDAUFGQOHYHY-UHFFFAOYSA-N 50322270 CHEMBL1173708::rac-Benzyl 1-butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate hydrochloride C-C chemokine receptor type 5 3000 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322270&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10116073 104143799 CHEMBL1173708 ZINC34246566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915706 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33) FDWPPSXZXOZKJQ-UHFFFAOYSA-N 50190518 1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL536288::rac-1-Butyl-3-isobutyl-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 270 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190518&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491773 104073809 CHEMBL536288 ZINC32063524 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915707 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O3/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37) UBOSWZVKFNAYOS-UHFFFAOYSA-N 50190516 (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL536743::rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190516&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10280945 104073807 CHEMBL536743 ZINC38152308 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915708 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 94 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915709 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)nc2)CC1 InChI=1S/C31H42N4O3/c1-2-3-18-35-29(36)27(21-24-10-6-4-7-11-24)33-30(37)31(35)16-19-34(20-17-31)23-25-14-15-28(32-22-25)38-26-12-8-5-9-13-26/h5,8-9,12-15,22,24,27H,2-4,6-7,10-11,16-21,23H2,1H3,(H,33,37) IDDMHDQWXISZEM-UHFFFAOYSA-N 50322271 CHEMBL1173007::rac-1-Butyl-3-(cyclohexylmethyl)-9-[(6-phenoxypyridin-3-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride C-C chemokine receptor type 5 21 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322271&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21927139 104143800 CHEMBL1173007 ZINC53243738 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915710 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(cc2)-c2cccnc2)CC1 InChI=1S/C31H42N4O2/c1-2-3-18-35-29(36)28(21-24-8-5-4-6-9-24)33-30(37)31(35)15-19-34(20-16-31)23-25-11-13-26(14-12-25)27-10-7-17-32-22-27/h7,10-14,17,22,24,28H,2-6,8-9,15-16,18-21,23H2,1H3,(H,33,37)/t28-/m0/s1 WIXDRALQUASGOY-NDEPHWFRSA-N 50322272 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[(6-phenylpyridin-3-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride::CHEMBL1173072 C-C chemokine receptor type 5 71 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322272&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49799680 104143801 CHEMBL1173072 ZINC53226632 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915711 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2c(C)nn(c2C)-c2ccccc2)CC1 InChI=1S/C31H45N5O2/c1-4-5-18-35-29(37)28(21-25-12-8-6-9-13-25)32-30(38)31(35)16-19-34(20-17-31)22-27-23(2)33-36(24(27)3)26-14-10-7-11-15-26/h7,10-11,14-15,25,28H,4-6,8-9,12-13,16-22H2,1-3H3,(H,32,38) PRFPQJVRHUSYPQ-UHFFFAOYSA-N 50322273 CHEMBL1173133::rac-1-Butyl-3-(cyclohexylmethyl)-9-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride C-C chemokine receptor type 5 35 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322273&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21926130 104143802 CHEMBL1173133 ZINC53229614 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915712 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2cnc([nH]2)-c2ccccc2)CC1 InChI=1S/C29H41N5O2/c1-2-3-16-34-27(35)25(19-22-10-6-4-7-11-22)32-28(36)29(34)14-17-33(18-15-29)21-24-20-30-26(31-24)23-12-8-5-9-13-23/h5,8-9,12-13,20,22,25H,2-4,6-7,10-11,14-19,21H2,1H3,(H,30,31)(H,32,36) ODQZDIKXBXEYOO-UHFFFAOYSA-N 50322274 CHEMBL1173134::rac-1-Butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1H-imidazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride C-C chemokine receptor type 5 160 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322274&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 464990 104143803 CHEMBL1173134 ZINC32016658 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915713 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2nc(oc2C)-c2ccccc2)CC1 InChI=1S/C30H42N4O3/c1-3-4-17-34-28(35)25(20-23-11-7-5-8-12-23)32-29(36)30(34)15-18-33(19-16-30)21-26-22(2)37-27(31-26)24-13-9-6-10-14-24/h6,9-10,13-14,23,25H,3-5,7-8,11-12,15-21H2,1-2H3,(H,32,36)/t25-/m0/s1 QKBRYPYIOKWOEV-VWLOTQADSA-N 50322275 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1173645 C-C chemokine receptor type 5 450 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322275&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064338 104143804 CHEMBL1173645 ZINC53246970 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915714 CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2csc(n2)-c2ccccc2)CC1 InChI=1S/C29H40N4O2S/c1-2-3-16-33-27(34)25(19-22-10-6-4-7-11-22)31-28(35)29(33)14-17-32(18-15-29)20-24-21-36-26(30-24)23-12-8-5-9-13-23/h5,8-9,12-13,21-22,25H,2-4,6-7,10-11,14-20H2,1H3,(H,31,35) UVHALJBNIXPOQC-UHFFFAOYSA-N 50322276 CHEMBL1172870::rac-1-Butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dionehydrochloride C-C chemokine receptor type 5 570 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322276&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21925890 104143805 CHEMBL1172870 ZINC53243876 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915715 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Sc3ccccc3)cc2)CC1 InChI=1S/C32H43N3O2S/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)38-27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)/t29-/m0/s1 ISASJOXLSUCJLQ-LJAQVGFWSA-N 50322277 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[4-(phenylsulfanyl)benzyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1172871 C-C chemokine receptor type 5 170 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322277&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064331 104143806 CHEMBL1172871 ZINC53243879 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915716 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(cc2)S(=O)(=O)c2ccccc2)CC1 InChI=1S/C32H43N3O4S/c1-2-3-20-35-30(36)29(23-25-10-6-4-7-11-25)33-31(37)32(35)18-21-34(22-19-32)24-26-14-16-28(17-15-26)40(38,39)27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,33,37)/t29-/m0/s1 CYTVBUIHRDXTDQ-LJAQVGFWSA-N 50322278 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[4-(phenylsulfonyl)-benzyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1171069 C-C chemokine receptor type 5 86 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322278&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064329 104143807 CHEMBL1171069 ZINC53229708 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915717 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(cc2)C(=O)c2ccccc2)CC1 InChI=1S/C33H43N3O3/c1-2-3-20-36-31(38)29(23-25-10-6-4-7-11-25)34-32(39)33(36)18-21-35(22-19-33)24-26-14-16-28(17-15-26)30(37)27-12-8-5-9-13-27/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,34,39)/t29-/m0/s1 UDAOWMQHKCNMAK-LJAQVGFWSA-N 50322279 (3S)-9-(4-Benzoylbenzyl)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1173646 C-C chemokine receptor type 5 81 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322279&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49799705 104143808 CHEMBL1173646 ZINC53243976 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915718 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(cc2)C(=O)Nc2ccccc2)CC1 InChI=1S/C33H44N4O3/c1-2-3-20-37-31(39)29(23-25-10-6-4-7-11-25)35-32(40)33(37)18-21-36(22-19-33)24-26-14-16-27(17-15-26)30(38)34-28-12-8-5-9-13-28/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,34,38)(H,35,40)/t29-/m0/s1 DIDIXNRNEYMTGZ-LJAQVGFWSA-N 50322280 4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}-N-phenylbenzamide hydrochloride::CHEMBL1170873 C-C chemokine receptor type 5 57 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322280&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49799707 104143809 CHEMBL1170873 ZINC53230101 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915719 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 InChI=1S/C32H42FN3O3/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-31(38)32(36)17-20-35(21-18-32)23-25-9-13-27(14-10-25)39-28-15-11-26(33)12-16-28/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,38)/t29-/m0/s1 VURBJJWGUCRDTO-LJAQVGFWSA-N 50322281 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[4-(4-fluorophenoxy)benzyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1173647 C-C chemokine receptor type 5 92 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322281&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064289 104143810 CHEMBL1173647 ZINC53242708 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915720 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(C)cc3)cc2)CC1 InChI=1S/C33H45N3O3/c1-3-4-20-36-31(37)30(23-26-8-6-5-7-9-26)34-32(38)33(36)18-21-35(22-19-33)24-27-12-16-29(17-13-27)39-28-14-10-25(2)11-15-28/h10-17,26,30H,3-9,18-24H2,1-2H3,(H,34,38)/t30-/m0/s1 YZRFXVQCBQMVFL-PMERELPUSA-N 50322282 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[4-(4-methylphenoxy)benzyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1173710 C-C chemokine receptor type 5 79 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322282&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064297 104143811 CHEMBL1173710 ZINC53226696 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915721 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1 InChI=1S/C33H45N3O4/c1-3-4-20-36-31(37)30(23-25-8-6-5-7-9-25)34-32(38)33(36)18-21-35(22-19-33)24-26-10-12-28(13-11-26)40-29-16-14-27(39-2)15-17-29/h10-17,25,30H,3-9,18-24H2,1-2H3,(H,34,38)/t30-/m0/s1 OZJZLSFHVWYGCM-PMERELPUSA-N 50322283 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[4-(4-methoxyphenoxy)benzyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1170874 C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322283&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064293 104143812 CHEMBL1170874 ZINC53230937 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915722 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(O)cc3)cc2)CC1 InChI=1S/C32H43N3O4/c1-2-3-19-35-30(37)29(22-24-7-5-4-6-8-24)33-31(38)32(35)17-20-34(21-18-32)23-25-9-13-27(14-10-25)39-28-15-11-26(36)12-16-28/h9-16,24,29,36H,2-8,17-23H2,1H3,(H,33,38)/t29-/m0/s1 YGKUWFNPRSRENZ-LJAQVGFWSA-N 50322284 (3S)-1-Butyl-3-(cyclohexylmethyl)-9-[4-(4-hydroxyphenoxy)benzyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1173712 C-C chemokine receptor type 5 42 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322284&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49799711 104143813 CHEMBL1173712 ZINC53243810 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915723 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(=O)NC)cc2)CC1 InChI=1S/C34H46N4O4/c1-3-4-20-38-32(40)30(23-25-8-6-5-7-9-25)36-33(41)34(38)18-21-37(22-19-34)24-26-10-14-28(15-11-26)42-29-16-12-27(13-17-29)31(39)35-2/h10-17,25,30H,3-9,18-24H2,1-2H3,(H,35,39)(H,36,41)/t30-/m0/s1 SBDZVNNWAFISGT-PMERELPUSA-N 50322285 4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)-N-methylbenzamidehydrochloride::CHEMBL1170875 C-C chemokine receptor type 5 33 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322285&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064295 104143814 CHEMBL1170875 ZINC53229366 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915724 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1 InChI=1S/C33H46N4O5S/c1-3-4-20-37-31(38)30(23-25-8-6-5-7-9-25)34-32(39)33(37)18-21-36(22-19-33)24-26-10-14-28(15-11-26)42-29-16-12-27(13-17-29)35-43(2,40)41/h10-17,25,30,35H,3-9,18-24H2,1-2H3,(H,34,39)/t30-/m0/s1 WYOPPQODGSRNAW-PMERELPUSA-N 50322286 CHEMBL1170876::N-[4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)phenyl]methanesulfonamide hydrochloride C-C chemokine receptor type 5 40 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322286&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064299 104143815 CHEMBL1170876 ZINC53243610 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915725 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)S(N)(=O)=O)cc2)CC1 InChI=1S/C32H44N4O5S/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-31(38)32(36)17-20-35(21-18-32)23-25-9-11-26(12-10-25)41-27-13-15-28(16-14-27)42(33,39)40/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,38)(H2,33,39,40)/t29-/m0/s1 IZRPWEOZEREGKH-LJAQVGFWSA-N 50322287 4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)benzenesulfonamide hydrochloride::CHEMBL1170877 C-C chemokine receptor type 5 28 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322287&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064281 104143816 CHEMBL1170877 ZINC53243614 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915726 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1 InChI=1S/C33H43N3O5/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-32(40)33(36)17-20-35(21-18-33)23-25-9-13-27(14-10-25)41-28-15-11-26(12-16-28)31(38)39/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,40)(H,38,39)/t29-/m0/s1 YTCAJFHLKWZALU-LJAQVGFWSA-N 50322288 4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)benzoic acid hydrochloride::CHEMBL1170878 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322288&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064283 104143817 CHEMBL1170878 ZINC53230198 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915727 CCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C28H37N3O3/c1-4-16-31-26(32)25(19-21(2)3)29-27(33)28(31)14-17-30(18-15-28)20-22-10-12-24(13-11-22)34-23-8-6-5-7-9-23/h5-13,21,25H,4,14-20H2,1-3H3,(H,29,33) KUHZERKUYOBQDZ-UHFFFAOYSA-N 50190524 3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL557150::rac-3-Isobutyl-9-(4-phenoxybenzyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 500 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10228761 104073815 CHEMBL557150 ZINC38157780 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915728 CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CC(C)C)C1=O InChI=1S/C29H39N3O3/c1-21(2)18-26-27(33)32(19-22(3)4)29(28(34)30-26)14-16-31(17-15-29)20-23-10-12-25(13-11-23)35-24-8-6-5-7-9-24/h5-13,21-22,26H,14-20H2,1-4H3,(H,30,34) DFTIVEDQZSJGFD-UHFFFAOYSA-N 50322256 CHEMBL1170471::rac-1,3-Diisobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 330 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322256&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10118535 104143785 CHEMBL1170471 ZINC34252194 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915729 CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CCC(C)O)C1=O InChI=1S/C29H39N3O4/c1-21(2)19-26-27(34)32(16-13-22(3)33)29(28(35)30-26)14-17-31(18-15-29)20-23-9-11-25(12-10-23)36-24-7-5-4-6-8-24/h4-12,21-22,26,33H,13-20H2,1-3H3,(H,30,35) OJHDBBXDBNHARM-UHFFFAOYSA-N 50322257 1-(3-hydroxy-butyl)-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL538336::rac-1-(3-Hydroxybutyl)-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 >3000 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322257&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728783 104143786 CHEMBL538336 ZINC28817808 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915730 C\C=C\CN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H37N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h4-14,22,26H,15-21H2,1-3H3,(H,30,34)/b5-4+ DIVGXRWMIVBBIU-SNAWJCMRSA-N 50322258 CHEMBL1171095::rac-1-[(2E)-2-Butenyl]-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 69 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322258&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21926618 104143787 CHEMBL1171095 ZINC53243504 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915731 CC#CCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H35N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,15-21H2,1-3H3,(H,30,34) HTEXTINWFBTDGR-UHFFFAOYSA-N 50322259 CHEMBL1171096::rac-1-(2-Butynyl)-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 54 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322259 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322259&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21927225 104143788 CHEMBL1171096 ZINC53230665 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915732 CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O InChI=1S/C32H37N3O3/c1-24(2)21-29-30(36)35(23-25-9-5-3-6-10-25)32(31(37)33-29)17-19-34(20-18-32)22-26-13-15-28(16-14-26)38-27-11-7-4-8-12-27/h3-16,24,29H,17-23H2,1-2H3,(H,33,37) ZQTRWSUPLBZZJQ-UHFFFAOYSA-N 50322260 CHEMBL1171289::rac-1-Benzyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 300 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322260&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10143882 104143789 CHEMBL1171289 ZINC34315726 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915733 CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)/t26-/m0/s1 SBPSJQLYVXFZFV-SANMLTNESA-N 50198940 (3S)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::(S)-1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL556995 C-C chemokine receptor type 5 84 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11569805 104079718 CHEMBL556995 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915734 CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34)/t26-/m1/s1 SBPSJQLYVXFZFV-AREMUKBSSA-N 50198937 (3R)-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::(R)-1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536298 C-C chemokine receptor type 5 130 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198937&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728785 104079715 CHEMBL536298 ZINC28817812 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915735 CCCCN1C(=O)[C@H](CC(C)(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C30H41N3O3/c1-5-6-18-33-27(34)26(21-29(2,3)4)31-28(35)30(33)16-19-32(20-17-30)22-23-12-14-25(15-13-23)36-24-10-8-7-9-11-24/h7-15,26H,5-6,16-22H2,1-4H3,(H,31,35)/t26-/m0/s1 OEHXYHBWSHDLSO-SANMLTNESA-N 50322261 (3S)-1-Butyl-3-neopentyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL1171290 C-C chemokine receptor type 5 79 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322261&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064126 104143790 CHEMBL1171290 ZINC53244139 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915736 CCCCN1C(=O)C(CCC)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C28H37N3O3/c1-3-5-18-31-26(32)25(9-4-2)29-27(33)28(31)16-19-30(20-17-28)21-22-12-14-24(15-13-22)34-23-10-7-6-8-11-23/h6-8,10-15,25H,3-5,9,16-21H2,1-2H3,(H,29,33) AHUGIKXKNXWOLV-UHFFFAOYSA-N 50322262 CHEMBL1171291::rac-1-Butyl-9-(4-phenoxybenzyl)-3-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 50 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322262&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10228759 104143791 CHEMBL1171291 ZINC38404607 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50915737 CCCCN1C(=O)C(CC2CCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C31H41N3O3/c1-2-3-19-34-29(35)28(22-24-9-7-8-10-24)32-30(36)31(34)17-20-33(21-18-31)23-25-13-15-27(16-14-25)37-26-11-5-4-6-12-26/h4-6,11-16,24,28H,2-3,7-10,17-23H2,1H3,(H,32,36) UXLNBKFAMFLHQY-UHFFFAOYSA-N 50322263 CHEMBL1170694::rac-1-Butyl-3-(cyclopentylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 52 ChEMBL 10.1016/j.bmc.2010.05.057 10.7270/Q25H7H7B 20542438 Nishizawa, R; Nishiyama, T; Hisaichi, K; Hirai, K; Habashita, H; Takaoka, Y; Tada, H; Sagawa, K; Shibayama, S; Maeda, K; Mitsuya, H; Nakai, H; Fukushima, D; Toda, M Minase Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322263&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21926948 104143792 CHEMBL1170694 ZINC53244106 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914920 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(Cl)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42ClN3O4/c1-2-18-37(32(39)41-23-25-12-14-29(34)15-13-25)30-16-19-35(20-17-30)21-28-22-36(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,40H,1,6-9,16-24H2/t28-,33-/m0/s1 MHKFDBACUXPWSY-UVMMSNCQSA-N 50321683 4-chlorobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1172043 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321683&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798082 104143212 CHEMBL1172043 ZINC53293492 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914921 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(F)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42FN3O4/c1-2-18-37(32(39)41-23-25-12-14-29(34)15-13-25)30-16-19-35(20-17-30)21-28-22-36(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,40H,1,6-9,16-24H2/t28-,33-/m0/s1 ZLICCGHJXNURPA-UVMMSNCQSA-N 50321684 4-fluorobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1172042 C-C chemokine receptor type 5 221 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321684&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798081 104143213 CHEMBL1172042 ZINC53293833 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914922 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C34H42F3N3O5/c1-2-18-40(32(42)44-23-25-12-14-30(15-13-25)45-34(35,36)37)29-16-19-38(20-17-29)21-28-22-39(31(41)26-8-6-7-9-26)24-33(28,43)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,43H,1,6-9,16-24H2/t28-,33-/m0/s1 XHXHVPDACROHEJ-UVMMSNCQSA-N 50321685 4-(trifluoromethoxy)benzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1172039 C-C chemokine receptor type 5 6.2 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798080 104143214 CHEMBL1172039 ZINC53313020 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914923 CS(=O)(=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C34H45N3O6S/c1-3-19-37(33(39)43-24-26-13-15-31(16-14-26)44(2,41)42)30-17-20-35(21-18-30)22-29-23-36(32(38)27-9-7-8-10-27)25-34(29,40)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,40H,1,7-10,17-25H2,2H3/t29-,34-/m0/s1 UPOJYFSHIYMTEC-DODOAAEWSA-N 50321686 4-(methylsulfonyl)benzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1172040 C-C chemokine receptor type 5 37 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321686&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44129650 104143215 CHEMBL1172040 ZINC43206339 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914924 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc2nonc2c1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H41N5O5/c1-2-16-38(32(40)42-22-24-12-13-29-30(19-24)35-43-34-29)28-14-17-36(18-15-28)20-27-21-37(31(39)25-8-6-7-9-25)23-33(27,41)26-10-4-3-5-11-26/h2-5,10-13,19,25,27-28,41H,1,6-9,14-18,20-23H2/t27-,33-/m0/s1 FVLUABNJOZKWTR-CMVGPNDKSA-N 50321687 CHEMBL1172041::benzo[c][1,2,5]oxadiazol-5-ylmethyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate C-C chemokine receptor type 5 114 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321687&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44194496 104143216 CHEMBL1172041 ZINC43206338 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914925 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(Br)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42BrN3O4/c1-2-18-37(32(39)41-23-25-12-14-29(34)15-13-25)30-16-19-35(20-17-30)21-28-22-36(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,40H,1,6-9,16-24H2/t28-,33-/m0/s1 ASURRQIJEAPFRY-UVMMSNCQSA-N 50321688 4-bromobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1172044 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321688&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798083 104143217 CHEMBL1172044 ZINC53230505 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914926 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C34H42F3N3O4/c1-2-18-40(32(42)44-23-25-12-14-28(15-13-25)34(35,36)37)30-16-19-38(20-17-30)21-29-22-39(31(41)26-8-6-7-9-26)24-33(29,43)27-10-4-3-5-11-27/h2-5,10-15,26,29-30,43H,1,6-9,16-24H2/t29-,33-/m0/s1 MKNLUHGSMDKPJF-ZQAZVOLISA-N 50321689 4-(trifluoromethyl)benzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1172038 C-C chemokine receptor type 5 >30 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321689&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798079 104143218 CHEMBL1172038 ZINC53314081 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914927 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc2OCOc2c1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C34H43N3O6/c1-2-16-37(33(39)41-22-25-12-13-30-31(19-25)43-24-42-30)29-14-17-35(18-15-29)20-28-21-36(32(38)26-8-6-7-9-26)23-34(28,40)27-10-4-3-5-11-27/h2-5,10-13,19,26,28-29,40H,1,6-9,14-18,20-24H2/t28-,34-/m0/s1 TYKUXRCFHITKJA-GVYVVWIYSA-N 50321690 CHEMBL1172037::benzo[d][1,3]dioxol-5-ylmethyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate C-C chemokine receptor type 5 122 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321690&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728326 104143219 CHEMBL1172037 ZINC53296912 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914928 COc1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C34H45N3O5/c1-3-19-37(33(39)42-24-26-13-15-31(41-2)16-14-26)30-17-20-35(21-18-30)22-29-23-36(32(38)27-9-7-8-10-27)25-34(29,40)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,40H,1,7-10,17-25H2,2H3/t29-,34-/m0/s1 HSTRPZBEJNYABI-DODOAAEWSA-N 50321691 4-methoxybenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate::CHEMBL1172036 C-C chemokine receptor type 5 6.2 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321691&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728325 104143220 CHEMBL1172036 ZINC53298855 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914929 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H43N3O4/c1-2-19-36(32(38)40-24-26-11-5-3-6-12-26)30-17-20-34(21-18-30)22-29-23-35(31(37)27-13-9-10-14-27)25-33(29,39)28-15-7-4-8-16-28/h2-8,11-12,15-16,27,29-30,39H,1,9-10,13-14,17-25H2/t29-,33-/m0/s1 BKDHQICAVDDNCH-ZQAZVOLISA-N 50321692 CHEMBL1171965::benzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate C-C chemokine receptor type 5 8.8 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321692&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728324 104143221 CHEMBL1171965 ZINC53312636 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914931 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccccc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H44N4O3/c1-2-19-37(32(39)34-22-26-11-5-3-6-12-26)30-17-20-35(21-18-30)23-29-24-36(31(38)27-13-9-10-14-27)25-33(29,40)28-15-7-4-8-16-28/h2-8,11-12,15-16,27,29-30,40H,1,9-10,13-14,17-25H2,(H,34,39)/t29-,33-/m0/s1 QODQWZFMABGTFZ-ZQAZVOLISA-N 50321693 1-allyl-3-benzyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)urea::CHEMBL1171966 C-C chemokine receptor type 5 38 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321693&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798084 104143222 CHEMBL1171966 ZINC53226453 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914932 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(F)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H43FN4O3/c1-2-18-38(32(40)35-21-25-12-14-29(34)15-13-25)30-16-19-36(20-17-30)22-28-23-37(31(39)26-8-6-7-9-26)24-33(28,41)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,41H,1,6-9,16-24H2,(H,35,40)/t28-,33-/m0/s1 IFBNGEQGWKVIJV-UVMMSNCQSA-N 50321694 1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(4-fluorobenzyl)urea::CHEMBL1172045 C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321694&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798085 104143223 CHEMBL1172045 ZINC53312640 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914933 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(Cl)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H43ClN4O3/c1-2-18-38(32(40)35-21-25-12-14-29(34)15-13-25)30-16-19-36(20-17-30)22-28-23-37(31(39)26-8-6-7-9-26)24-33(28,41)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,41H,1,6-9,16-24H2,(H,35,40)/t28-,33-/m0/s1 BFDKKSSXNZRHDX-UVMMSNCQSA-N 50321695 1-allyl-3-(4-chlorobenzyl)-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)urea::CHEMBL1172046 C-C chemokine receptor type 5 2.7 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321695&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798086 104143224 CHEMBL1172046 ZINC53298859 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914934 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H43N5O5/c1-2-18-37(32(40)34-21-25-12-14-30(15-13-25)38(42)43)29-16-19-35(20-17-29)22-28-23-36(31(39)26-8-6-7-9-26)24-33(28,41)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,41H,1,6-9,16-24H2,(H,34,40)/t28-,33-/m0/s1 HRWCVSZBRYRXRI-UVMMSNCQSA-N 50321696 1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(4-nitrobenzyl)urea::CHEMBL1172047 C-C chemokine receptor type 5 3.2 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321696&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798087 104143225 CHEMBL1172047 ZINC53312645 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914935 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C34H43F3N4O3/c1-2-18-41(32(43)38-21-25-12-14-28(15-13-25)34(35,36)37)30-16-19-39(20-17-30)22-29-23-40(31(42)26-8-6-7-9-26)24-33(29,44)27-10-4-3-5-11-27/h2-5,10-15,26,29-30,44H,1,6-9,16-24H2,(H,38,43)/t29-,33-/m0/s1 IMPVMIVUIIFSCA-ZQAZVOLISA-N 50321697 1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(4-(trifluoromethyl)benzyl)urea::CHEMBL1172048 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321697&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44194590 104143226 CHEMBL1172048 ZINC43206341 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914936 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C34H43F3N4O4/c1-2-18-41(32(43)38-21-25-12-14-30(15-13-25)45-34(35,36)37)29-16-19-39(20-17-29)22-28-23-40(31(42)26-8-6-7-9-26)24-33(28,44)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,44H,1,6-9,16-24H2,(H,38,43)/t28-,33-/m0/s1 WNYFMQQMIAAIOF-UVMMSNCQSA-N 50321698 1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)benzyl)urea::CHEMBL1172049 C-C chemokine receptor type 5 6.2 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321698&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798088 104143227 CHEMBL1172049 ZINC53230678 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914937 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(F)cc1F)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42F2N4O3/c1-2-16-39(32(41)36-20-25-12-13-28(34)19-30(25)35)29-14-17-37(18-15-29)21-27-22-38(31(40)24-8-6-7-9-24)23-33(27,42)26-10-4-3-5-11-26/h2-5,10-13,19,24,27,29,42H,1,6-9,14-18,20-23H2,(H,36,41)/t27-,33-/m0/s1 NJPKXRZXJBFFPB-CMVGPNDKSA-N 50321699 1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(2,4-difluorobenzyl)urea::CHEMBL1172050 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321699&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798089 104143228 CHEMBL1172050 ZINC53298862 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914938 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)NCc1ccc(F)c(F)c1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42F2N4O3/c1-2-16-39(32(41)36-20-24-12-13-29(34)30(35)19-24)28-14-17-37(18-15-28)21-27-22-38(31(40)25-8-6-7-9-25)23-33(27,42)26-10-4-3-5-11-26/h2-5,10-13,19,25,27-28,42H,1,6-9,14-18,20-23H2,(H,36,41)/t27-,33-/m0/s1 TYGOFMUGGFHXDW-CMVGPNDKSA-N 50321700 1-allyl-1-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-3-(3,4-difluorobenzyl)urea::CHEMBL1172051 C-C chemokine receptor type 5 1.7 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321700&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798090 104143229 CHEMBL1172051 ZINC53230252 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914939 CNS(=O)(=O)c1ccc(CNC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C34H47N5O5S/c1-3-19-39(33(41)36-22-26-13-15-31(16-14-26)45(43,44)35-2)30-17-20-37(21-18-30)23-29-24-38(32(40)27-9-7-8-10-27)25-34(29,42)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,35,42H,1,7-10,17-25H2,2H3,(H,36,41)/t29-,34-/m0/s1 ZQKWOOVRQATPOI-DODOAAEWSA-N 50321701 4-((3-allyl-3-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)ureido)methyl)-N-methylbenzenesulfonamide::CHEMBL1172052 C-C chemokine receptor type 5 2.9 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321701&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44194676 104143230 CHEMBL1172052 ZINC43206342 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914940 CN(C)S(=O)(=O)c1ccc(CNC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C35H49N5O5S/c1-4-20-40(34(42)36-23-27-14-16-32(17-15-27)46(44,45)37(2)3)31-18-21-38(22-19-31)24-30-25-39(33(41)28-10-8-9-11-28)26-35(30,43)29-12-6-5-7-13-29/h4-7,12-17,28,30-31,43H,1,8-11,18-26H2,2-3H3,(H,36,42)/t30-,35-/m0/s1 IUOKEVGFIRCTJQ-QGRQJHSQSA-N 50321702 4-((3-allyl-3-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)ureido)methyl)-N,N-dimethylbenzenesulfonamide::CHEMBL1172053 C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321702&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44194675 104143231 CHEMBL1172053 ZINC58655430 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914941 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)Cc1ccccc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H43N3O3/c1-2-19-36(31(37)22-26-11-5-3-6-12-26)30-17-20-34(21-18-30)23-29-24-35(32(38)27-13-9-10-14-27)25-33(29,39)28-15-7-4-8-16-28/h2-8,11-12,15-16,27,29-30,39H,1,9-10,13-14,17-25H2/t29-,33-/m0/s1 JLQHXHOVRNSYGX-ZQAZVOLISA-N 50321703 CHEMBL1172157::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-phenylacetamide C-C chemokine receptor type 5 3.5 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321703&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798129 104143232 CHEMBL1172157 ZINC53298482 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914942 COc1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C34H45N3O4/c1-3-19-37(32(38)22-26-13-15-31(41-2)16-14-26)30-17-20-35(21-18-30)23-29-24-36(33(39)27-9-7-8-10-27)25-34(29,40)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,40H,1,7-10,17-25H2,2H3/t29-,34-/m0/s1 IWCSEHMFNIZJCP-DODOAAEWSA-N 50321704 CHEMBL1172438::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-methoxyphenyl)acetamide C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321704&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798130 104143233 CHEMBL1172438 ZINC53297066 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914943 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)Cc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42N4O5/c1-2-18-36(31(38)21-25-12-14-30(15-13-25)37(41)42)29-16-19-34(20-17-29)22-28-23-35(32(39)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2/t28-,33-/m0/s1 VGNMJBYWTAMAEL-UVMMSNCQSA-N 50321705 CHEMBL1172439::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-nitrophenyl)acetamide C-C chemokine receptor type 5 5.3 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321705&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798131 104143234 CHEMBL1172439 ZINC53276467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914944 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)Cc1ccc(F)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42FN3O3/c1-2-18-37(31(38)21-25-12-14-29(34)15-13-25)30-16-19-35(20-17-30)22-28-23-36(32(39)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,40H,1,6-9,16-24H2/t28-,33-/m0/s1 YKGFOWRDVUVJPN-UVMMSNCQSA-N 50321706 CHEMBL1171029::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-fluorophenyl)acetamide C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321706&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798132 104143235 CHEMBL1171029 ZINC53229089 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914945 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)Cc1ccc(Cl)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42ClN3O3/c1-2-18-37(31(38)21-25-12-14-29(34)15-13-25)30-16-19-35(20-17-30)22-28-23-36(32(39)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,40H,1,6-9,16-24H2/t28-,33-/m0/s1 KNRRJCZEGGOTPL-UVMMSNCQSA-N 50321707 CHEMBL1171030::N-allyl-2-(4-chlorophenyl)-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)acetamide C-C chemokine receptor type 5 3.6 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321707&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798133 104143236 CHEMBL1171030 ZINC53295033 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914946 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)Cc1ccc(Br)cc1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42BrN3O3/c1-2-18-37(31(38)21-25-12-14-29(34)15-13-25)30-16-19-35(20-17-30)22-28-23-36(32(39)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,40H,1,6-9,16-24H2/t28-,33-/m0/s1 GXLDXQXUKMOINO-UVMMSNCQSA-N 50321708 CHEMBL1169819::N-allyl-2-(4-bromophenyl)-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)acetamide C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321708&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798156 104143237 CHEMBL1169819 ZINC53276582 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914947 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C34H42F3N3O3/c1-2-18-40(31(41)21-25-12-14-28(15-13-25)34(35,36)37)30-16-19-38(20-17-30)22-29-23-39(32(42)26-8-6-7-9-26)24-33(29,43)27-10-4-3-5-11-27/h2-5,10-15,26,29-30,43H,1,6-9,16-24H2/t29-,33-/m0/s1 NJZBKTHPPFJVAS-ZQAZVOLISA-N 50321709 CHEMBL1172622::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-(trifluoromethyl)phenyl)acetamide C-C chemokine receptor type 5 149 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321709&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798157 104143238 CHEMBL1172622 ZINC53296429 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914948 CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C34H45N3O5S/c1-3-19-37(32(38)22-26-13-15-31(16-14-26)43(2,41)42)30-17-20-35(21-18-30)23-29-24-36(33(39)27-9-7-8-10-27)25-34(29,40)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,40H,1,7-10,17-25H2,2H3/t29-,34-/m0/s1 YTYMQDWICNCGED-DODOAAEWSA-N 50321710 CHEMBL1172623::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321710&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798158 104143239 CHEMBL1172623 ZINC53295611 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914949 NS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C33H44N4O5S/c1-2-18-37(31(38)21-25-12-14-30(15-13-25)43(34,41)42)29-16-19-35(20-17-29)22-28-23-36(32(39)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2,(H2,34,41,42)/t28-,33-/m0/s1 YJKZSHWCMHPIQM-UVMMSNCQSA-N 50321711 CHEMBL1172624::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-sulfamoylphenyl)acetamide C-C chemokine receptor type 5 2.1 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321711&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44194589 104143240 CHEMBL1172624 ZINC53294551 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914950 CNS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C34H46N4O5S/c1-3-19-38(32(39)22-26-13-15-31(16-14-26)44(42,43)35-2)30-17-20-36(21-18-30)23-29-24-37(33(40)27-9-7-8-10-27)25-34(29,41)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,35,41H,1,7-10,17-25H2,2H3/t29-,34-/m0/s1 XPFKJEFRGMJTEE-DODOAAEWSA-N 50321712 CHEMBL1172625::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-(N-methylsulfamoyl)phenyl)acetamide C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321712&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44194588 104143241 CHEMBL1172625 ZINC43206340 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914951 CN(C)S(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1 InChI=1S/C35H48N4O5S/c1-4-20-39(33(40)23-27-14-16-32(17-15-27)45(43,44)36(2)3)31-18-21-37(22-19-31)24-30-25-38(34(41)28-10-8-9-11-28)26-35(30,42)29-12-6-5-7-13-29/h4-7,12-17,28,30-31,42H,1,8-11,18-26H2,2-3H3/t30-,35-/m0/s1 NIDOQXBRHDVNAR-QGRQJHSQSA-N 50321713 CHEMBL1172626::N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-(N,N-dimethylsulfamoyl)phenyl)acetamide C-C chemokine receptor type 5 3.3 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321713&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44194587 104143242 CHEMBL1172626 ZINC53312719 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50914952 O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C33H42N4O6/c1-2-18-36(32(39)43-23-25-12-14-30(15-13-25)37(41)42)29-16-19-34(20-17-29)21-28-22-35(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2/t28-,33-/m0/s1 JNSKQYZFEVKYDB-UVMMSNCQSA-N 50321682 CHEMBL1172035::nifeviroc C-C chemokine receptor type 5 3.5 ChEMBL 10.1016/j.bmcl.2010.05.102 10.7270/Q2H132Z4 20561788 Ben, L; Jones, ED; Zhou, E; Li, C; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50321682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50321682&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16663418 104143211 CHEMBL1172035 ZINC53295296 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919698 COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc12)C(C)=O)c1cccc(F)c1 InChI=1S/C27H36FN5O3/c1-17-29-25-9-11-31(18(2)34)16-26(25)33(17)23-14-21-7-8-22(15-23)32(21)12-10-24(30-27(35)36-3)19-5-4-6-20(28)13-19/h4-6,13,21-24H,7-12,14-16H2,1-3H3,(H,30,35)/t21-,22+,23+,24-/m0/s1 RAROXORHFWXNDX-KEZOAJOQSA-N 50334973 CHEMBL1649926::endo-methyl(S)-3-(3-(5-acetyl-2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-fluorophenyl)propylcarbamate C-C chemokine receptor type 5 0.2 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334973&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50993593 125085075 CHEMBL1649926 ZINC66112474 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919699 COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc12)C(=O)OC)c1cccc(F)c1 InChI=1S/C27H36FN5O4/c1-17-29-24-9-11-31(27(35)37-3)16-25(24)33(17)22-14-20-7-8-21(15-22)32(20)12-10-23(30-26(34)36-2)18-5-4-6-19(28)13-18/h4-6,13,20-23H,7-12,14-16H2,1-3H3,(H,30,34)/t20-,21+,22+,23-/m0/s1 DSCMAXGHSLCWHO-AFXVXQJMSA-N 50334974 CHEMBL1649927::endo-methyl 3-(8-((S)-3-(3-fluorophenyl)-3-(methoxycarbonylamino)propyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate C-C chemokine receptor type 5 0.2 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334974&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992494 125085076 CHEMBL1649927 ZINC66112693 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919700 COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1 InChI=1S/C27H36FN5O3/c1-17-29-25-9-11-31(27(35)36-3)16-26(25)33(17)23-14-21-7-8-22(15-23)32(21)12-10-24(30-18(2)34)19-5-4-6-20(28)13-19/h4-6,13,21-24H,7-12,14-16H2,1-3H3,(H,30,34)/t21-,22+,23+,24-/m0/s1 IZAPOECBOCZPMS-KEZOAJOQSA-N 50334975 CHEMBL1649924::endo-methyl 3-(8-((S)-3-acetamido-3-(3-fluorophenyl)propyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate C-C chemokine receptor type 5 0.1 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334975&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50993591 125085077 CHEMBL1649924 ZINC66112517 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919701 COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc12)C(C)=O)c1ccccc1 InChI=1S/C27H37N5O3/c1-18-28-25-11-13-30(19(2)33)17-26(25)32(18)23-15-21-9-10-22(16-23)31(21)14-12-24(29-27(34)35-3)20-7-5-4-6-8-20/h4-8,21-24H,9-17H2,1-3H3,(H,29,34)/t21-,22+,23+,24-/m0/s1 DMPWKNSWYLHNOR-KEZOAJOQSA-N 50334976 CHEMBL1649925::endo-methyl(S)-3-(3-(5-acetyl-2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropylcarbamate C-C chemokine receptor type 5 0.6 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334976&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50993592 125085078 CHEMBL1649925 ZINC66112737 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919702 CC(C)C(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 InChI=1S/C29H41N5O2/c1-19(2)29(36)32-14-12-27-28(18-32)34(20(3)30-27)25-16-23-10-11-24(17-25)33(23)15-13-26(31-21(4)35)22-8-6-5-7-9-22/h5-9,19,23-26H,10-18H2,1-4H3,(H,31,35)/t23-,24+,25+,26-/m0/s1 MHXFHNQOZPIPDS-QUMGSSFMSA-N 50334977 CHEMBL1649921::endo-N-((S)-3-(3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 0.4 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992640 125085079 CHEMBL1649921 ZINC66112514 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919703 COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 InChI=1S/C27H37N5O3/c1-18-28-25-11-13-30(27(34)35-3)17-26(25)32(18)23-15-21-9-10-22(16-23)31(21)14-12-24(29-19(2)33)20-7-5-4-6-8-20/h4-8,21-24H,9-17H2,1-3H3,(H,29,33)/t21-,22+,23+,24-/m0/s1 PGZOJXIIMKNLJD-KEZOAJOQSA-N 50334978 CHEMBL1649922::endo-methyl 3-(8-((S)-3-acetamido-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5(4H)-carboxylate C-C chemokine receptor type 5 0.3 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992641 125085080 CHEMBL1649922 ZINC66112515 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919704 CCC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 InChI=1S/C28H39N5O2/c1-4-28(35)31-14-12-26-27(18-31)33(19(2)29-26)24-16-22-10-11-23(17-24)32(22)15-13-25(30-20(3)34)21-8-6-5-7-9-21/h5-9,22-25H,4,10-18H2,1-3H3,(H,30,34)/t22-,23+,24+,25-/m0/s1 ILBKALWUNNHXFE-LIONHTAISA-N 50334979 CHEMBL1649920::endo-N-((S)-3-(3-(2-methyl-5-propionyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 0.4 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992639 125085081 CHEMBL1649920 ZINC66103144 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919705 CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc12)C(C)=O)c1ccccc1 InChI=1S/C27H37N5O2/c1-18-28-26-11-13-30(20(3)34)17-27(26)32(18)24-15-22-9-10-23(16-24)31(22)14-12-25(29-19(2)33)21-7-5-4-6-8-21/h4-8,22-25H,9-17H2,1-3H3,(H,29,33)/t22-,23+,24+,25-/m0/s1 CSMZTWRPPFTJSM-LIONHTAISA-N 50334980 CHEMBL1649919::endo-N-((S)-3-(3-(5-acetyl-2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 0.4 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992577 125085082 CHEMBL1649919 ZINC66103142 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919706 CC(C)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 InChI=1S/C28H41N5O/c1-19(2)31-14-12-27-28(18-31)33(20(3)29-27)25-16-23-10-11-24(17-25)32(23)15-13-26(30-21(4)34)22-8-6-5-7-9-22/h5-9,19,23-26H,10-18H2,1-4H3,(H,30,34)/t23-,24+,25+,26-/m0/s1 AHAJYBOHYHQINR-QUMGSSFMSA-N 50334981 CHEMBL1649917::endo-N-((S)-3-(3-(5-isopropyl-2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334981&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992575 125085083 CHEMBL1649917 ZINC66103136 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919707 CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc12)S(C)(=O)=O)c1ccccc1 InChI=1S/C26H37N5O3S/c1-18-27-25-11-13-29(35(3,33)34)17-26(25)31(18)23-15-21-9-10-22(16-23)30(21)14-12-24(28-19(2)32)20-7-5-4-6-8-20/h4-8,21-24H,9-17H2,1-3H3,(H,28,32)/t21-,22+,23+,24-/m0/s1 GZROGNQCZLQRBT-KEZOAJOQSA-N 50334982 CHEMBL1649918::endo-N-((S)-3-(3-(2-methyl-5-(methylsulfonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334982&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53319405 125085084 CHEMBL1649918 ZINC66103140 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919708 CN1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 InChI=1S/C26H37N5O/c1-18-27-25-11-13-29(3)17-26(25)31(18)23-15-21-9-10-22(16-23)30(21)14-12-24(28-19(2)32)20-7-5-4-6-8-20/h4-8,21-24H,9-17H2,1-3H3,(H,28,32)/t21-,22+,23+,24-/m0/s1 IYANRHRETCUXAL-KEZOAJOQSA-N 50334983 CHEMBL1649916::endo-N-((S)-3-(3-(2,5-dimethyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 5 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334983&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50992574 125085085 CHEMBL1649916 ZINC66103134 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919709 CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCN(Cc3ccccc3)Cc12)c1ccccc1 InChI=1S/C32H41N5O/c1-23-33-31-15-17-35(21-25-9-5-3-6-10-25)22-32(31)37(23)29-19-27-13-14-28(20-29)36(27)18-16-30(34-24(2)38)26-11-7-4-8-12-26/h3-12,27-30H,13-22H2,1-2H3,(H,34,38)/t27-,28+,29+,30-/m0/s1 ADIIDPCAUUQSIB-KJHMZRPRSA-N 50334984 CHEMBL1649914::endo-N-((S)-3-(3-(5-benzyl-2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 29 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334984&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50993435 125085086 CHEMBL1649914 ZINC66104190 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919710 CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2CCNCc12)c1ccccc1 InChI=1S/C25H35N5O/c1-17-27-24-10-12-26-16-25(24)30(17)22-14-20-8-9-21(15-22)29(20)13-11-23(28-18(2)31)19-6-4-3-5-7-19/h3-7,20-23,26H,8-16H2,1-2H3,(H,28,31)/t20-,21+,22+,23-/m0/s1 MEYMFPPXDAKHCM-AFXVXQJMSA-N 50334985 CHEMBL1649915::endo-N-((S)-3-(3-(2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 9 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334985&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 50993436 125085087 CHEMBL1649915 ZINC66104192 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919711 CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nc2ccccc12)c1ccccc1 InChI=1S/C26H32N4O/c1-18-27-25-10-6-7-11-26(25)30(18)23-16-21-12-13-22(17-23)29(21)15-14-24(28-19(2)31)20-8-4-3-5-9-20/h3-11,21-24H,12-17H2,1-2H3,(H,28,31)/t21-,22+,23+,24-/m0/s1 QVXHHQGBOHNEEA-KEZOAJOQSA-N 50334971 CHEMBL1649913::endo-N-((S)-3-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 0.5 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53325983 125085073 CHEMBL1649913 ZINC66104187 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919712 CC(C)c1nc(C)nn1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-32-20(3)34-36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)33-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,33,37)/t23-,24+,25+,26-/m0/s1 PTUIAFZYMVYAII-QUMGSSFMSA-N 50334972 CHEMBL1649912::endo-4,4-difluoro-N-((S)-3-(3-(5-isopropyl-3-methyl-1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334972&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49768863 125085074 CHEMBL1649912 ZINC40848233 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50919713 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 0.2 ChEMBL 10.1021/jm100978n 10.7270/Q2RV0PNV 21128663 Galan, SR; Jones, RM; Smith, NN; Dorr, PK; Westby, M; Perruccio, F; Rodrigues, D Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910040 Cc1nnc(C)n1[C@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@H]2C1 InChI=1S/C26H36FN5O2/c1-17-29-30-18(2)32(17)24-13-21-15-31(16-22(21)14-24)9-6-25(20-4-3-5-23(27)12-20)28-26(33)19-7-10-34-11-8-19/h3-5,12,19,21-22,24-25H,6-11,13-16H2,1-2H3,(H,28,33)/t21-,22+,24-,25-/m0/s1 WKSLSTLBQGAPKU-VRUIKYSZSA-N 50312842 CHEMBL1082201::Endo-N-((S)-3-(5-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)tetrahydro-2H-pyran-4-carboxamide C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312842&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880775 104147203 CHEMBL1082201 ZINC49035170 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910041 Cc1nnc(C)n1[C@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@H]2C1 InChI=1S/C27H36F3N5O/c1-17-32-33-18(2)35(17)24-13-21-15-34(16-22(21)14-24)11-8-25(20-4-3-5-23(28)12-20)31-26(36)19-6-9-27(29,30)10-7-19/h3-5,12,19,21-22,24-25H,6-11,13-16H2,1-2H3,(H,31,36)/t21-,22+,24-,25-/m0/s1 FNBMOVWCGOAXSU-VRUIKYSZSA-N 50312843 CHEMBL1082202::Endo-N-((S)-3-(5-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)-4,4-difluorocyclohexanecarboxamide C-C chemokine receptor type 5 8 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312843&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46866599 104147204 CHEMBL1082202 ZINC49035172 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910042 Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2cccc(F)c2)CC1 InChI=1S/C25H34F3N5O/c1-17-30-31-18(2)33(17)22-8-13-32(14-9-22)15-10-23(20-4-3-5-21(26)16-20)29-24(34)19-6-11-25(27,28)12-7-19/h3-5,16,19,22-23H,6-15H2,1-2H3,(H,29,34)/t23-/m0/s1 OJZMUURUHJEXLT-QHCPKHFHSA-N 50312844 (S)-N-(3-(4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-(3-fluorophenyl)propyl)-4,4-difluorocyclohexanecarboxamide::CHEMBL1087533 C-C chemokine receptor type 5 38 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312844&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880847 104147205 CHEMBL1087533 ZINC49051970 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910043 Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOC1)c1cccc(F)c1 InChI=1S/C25H34FN5O2/c1-16-28-29-17(2)31(16)23-13-21-6-7-22(14-23)30(21)10-8-24(18-4-3-5-20(26)12-18)27-25(32)19-9-11-33-15-19/h3-5,12,19,21-24H,6-11,13-15H2,1-2H3,(H,27,32)/t19?,21-,22+,23+,24-/m0/s1 BWYQRSQZYRIDBK-ZADQPKDQSA-N 50312845 CHEMBL1087534::N-((S)-3-((1R,3S,5S)-3-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-fluorophenyl)propyl)tetrahydrofuran-3-carboxamide C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312845&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880848 104147206 CHEMBL1087534 ZINC49051978 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910044 Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CC(F)(F)C1)c1cccc(F)c1 InChI=1S/C25H32F3N5O/c1-15-30-31-16(2)33(15)22-11-20-6-7-21(12-22)32(20)9-8-23(17-4-3-5-19(26)10-17)29-24(34)18-13-25(27,28)14-18/h3-5,10,18,20-23H,6-9,11-14H2,1-2H3,(H,29,34)/t20-,21+,22+,23-/m0/s1 JTQFRDFFRSPRHZ-AFXVXQJMSA-N 50312846 CHEMBL1087535::N-((S)-3-((1R,3S,5S)-3-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-fluorophenyl)propyl)-3,3-difluorocyclobutanecarboxamide C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312846&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880849 104147207 CHEMBL1087535 ZINC49113208 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910045 Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOCC1)c1cccc(F)c1 InChI=1S/C26H36FN5O2/c1-17-29-30-18(2)32(17)24-15-22-6-7-23(16-24)31(22)11-8-25(20-4-3-5-21(27)14-20)28-26(33)19-9-12-34-13-10-19/h3-5,14,19,22-25H,6-13,15-16H2,1-2H3,(H,28,33)/t22-,23+,24+,25-/m0/s1 JTGYBUPIVTYVRH-LIONHTAISA-N 50312847 CHEMBL1087028::N-((S)-3-((1R,3S,5S)-3-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-fluorophenyl)propyl)tetrahydro-2H-pyran-4-carboxamide C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312847&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880850 104147208 CHEMBL1087028 ZINC49111328 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910046 Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1 InChI=1S/C27H36F3N5O/c1-17-32-33-18(2)35(17)24-15-22-6-7-23(16-24)34(22)13-10-25(20-4-3-5-21(28)14-20)31-26(36)19-8-11-27(29,30)12-9-19/h3-5,14,19,22-25H,6-13,15-16H2,1-2H3,(H,31,36)/t22-,23+,24+,25-/m0/s1 IYPBMBFFXYLGOM-LIONHTAISA-N 50312848 CHEMBL1087153::N-((S)-3-((1R,3S,5S)-3-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-fluorophenyl)propyl)-4,4-difluorocyclohexanecarboxamide C-C chemokine receptor type 5 5 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312848&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880887 104147209 CHEMBL1087153 ZINC49048418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910047 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 1.4 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910048 Cc1nnc(C)n1[C@@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3cccc(F)c3)C[C@H]2C1 InChI=1S/C25H34FN5O2/c1-16-28-29-17(2)31(16)23-11-20-13-30(14-21(20)12-23)8-6-24(18-4-3-5-22(26)10-18)27-25(32)19-7-9-33-15-19/h3-5,10,19-21,23-24H,6-9,11-15H2,1-2H3,(H,27,32)/t19?,20-,21+,23+,24-/m0/s1 FPQLFTVJQPJHLM-MCQOMSOYSA-N 50312851 CHEMBL1081625::Exo-N-((S)-3-(5-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)tetrahydrofuran-3-carboxamide C-C chemokine receptor type 5 35 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312851&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46864993 104147212 CHEMBL1081625 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910049 Cc1nnc(C)n1[C@@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(F)c3)C[C@H]2C1 InChI=1S/C25H32F3N5O/c1-15-30-31-16(2)33(15)22-9-18-13-32(14-19(18)10-22)7-6-23(17-4-3-5-21(26)8-17)29-24(34)20-11-25(27,28)12-20/h3-5,8,18-20,22-23H,6-7,9-14H2,1-2H3,(H,29,34)/t18-,19+,22+,23-/m0/s1 ZAJKPBWRIZUMLP-CSGUBPAMSA-N 50312852 CHEMBL1081476::Exo-N-((S)-3-(5-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)-3,3-difluorocyclobutanecarboxamide C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312852&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880774 104147213 CHEMBL1081476 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910050 Cc1nnc(C)n1[C@@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@H]2C1 InChI=1S/C26H36FN5O2/c1-17-29-30-18(2)32(17)24-13-21-15-31(16-22(21)14-24)9-6-25(20-4-3-5-23(27)12-20)28-26(33)19-7-10-34-11-8-19/h3-5,12,19,21-22,24-25H,6-11,13-16H2,1-2H3,(H,28,33)/t21-,22+,24+,25-/m0/s1 WKSLSTLBQGAPKU-AICRDVKUSA-N 50312853 CHEMBL1081477::Exo-N-((S)-3-(5-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)tetrahydro-2H-pyran-4-carboxamide C-C chemokine receptor type 5 43 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312853&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880775 104147214 CHEMBL1081477 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910051 Cc1nnc(C)n1[C@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3cccc(F)c3)C[C@H]2C1 InChI=1S/C25H34FN5O2/c1-16-28-29-17(2)31(16)23-11-20-13-30(14-21(20)12-23)8-6-24(18-4-3-5-22(26)10-18)27-25(32)19-7-9-33-15-19/h3-5,10,19-21,23-24H,6-9,11-15H2,1-2H3,(H,27,32)/t19?,20-,21+,23-,24-/m0/s1 FPQLFTVJQPJHLM-ZHNPGRLGSA-N 50312849 CHEMBL1081486::Endo-N-((S)-3-(5-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)tetrahydrofuran-3-carboxamide C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312849&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46864993 104147210 CHEMBL1081486 ZINC49034513 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50910052 Cc1nnc(C)n1[C@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(F)c3)C[C@H]2C1 InChI=1S/C25H32F3N5O/c1-15-30-31-16(2)33(15)22-9-18-13-32(14-19(18)10-22)7-6-23(17-4-3-5-21(26)8-17)29-24(34)20-11-25(27,28)12-20/h3-5,8,18-20,22-23H,6-7,9-14H2,1-2H3,(H,29,34)/t18-,19+,22-,23-/m0/s1 ZAJKPBWRIZUMLP-YDLSIGKMSA-N 50312850 CHEMBL1082191::Endo-N-((S)-3-(5-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)-3,3-difluorocyclobutanecarboxamide C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.bmcl.2010.01.080 10.7270/Q23B6131 20137937 Lemoine, RC; Petersen, AC; Setti, L; Baldinger, T; Wanner, J; Jekle, A; Heilek, G; deRosier, A; Ji, C; Rotstein, DM Roche Palo Alto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50312850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50312850&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46880774 104147211 CHEMBL1082191 ZINC49036621 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912824 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+ KFNRGFZWGOCXDB-TVKQRKNISA-N 50115528 (Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-methyl-1,4'-bipiperidin-1'-yl)(2,6-dimethylphenyl)methanone::CHEMBL324643::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115528&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479844 104009443 CHEMBL324643 ZINC26841222 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912825 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 14 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912826 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(c3)C#N)C[C@@H]2C1 InChI=1S/C29H34F2N6O2/c1-18-27(19(2)34-17-33-18)28(39)37-15-23-13-36(14-24(23)16-37)7-6-25(22-5-3-4-20(8-22)12-32)35-26(38)9-21-10-29(30,31)11-21/h3-5,8,17,21,23-25H,6-7,9-11,13-16H2,1-2H3,(H,35,38)/t23-,24+,25-/m0/s1 JCILOYXTODENFR-GVAUOCQISA-N 50318424 CHEMBL1098665::N-((S)-1-(3-cyanophenyl)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)propyl)-2-(3,3-difluorocyclobutyl)acetamide C-C chemokine receptor type 5 34 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318424&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888606 104152785 CHEMBL1098665 ZINC49784902 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912827 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cc(F)cc(F)c3)C[C@@H]2C1 InChI=1S/C28H33F4N5O2/c1-16-26(17(2)34-15-33-16)27(39)37-13-20-11-36(12-21(20)14-37)4-3-24(19-6-22(29)8-23(30)7-19)35-25(38)5-18-9-28(31,32)10-18/h6-8,15,18,20-21,24H,3-5,9-14H2,1-2H3,(H,35,38)/t20-,21+,24-/m0/s1 ZUSMCXAJFLVLLT-IMSXRSKXSA-N 50318425 2-(3,3-difluorocyclobutyl)-N-((S)-1-(3,5-difluorophenyl)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)propyl)acetamide::CHEMBL1098664 C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318425&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888605 104152786 CHEMBL1098664 ZINC49784901 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912828 Cc1nc(Cl)nc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 InChI=1S/C28H34ClF2N5O2/c1-17-25(18(2)33-27(29)32-17)26(38)36-15-21-13-35(14-22(21)16-36)9-8-23(20-6-4-3-5-7-20)34-24(37)10-19-11-28(30,31)12-19/h3-7,19,21-23H,8-16H2,1-2H3,(H,34,37)/t21-,22+,23-/m0/s1 BHZZWCMIOLBTNK-ZRBLBEILSA-N 50318426 CHEMBL1094518::N-((S)-3-((3aR,6aS)-5-(2-chloro-4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)-2-(3,3-difluorocyclobutyl)acetamide C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318426&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888604 104152787 CHEMBL1094518 ZINC49793506 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912829 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C28H34F3N5O2/c1-17-26(18(2)33-16-32-17)27(38)36-14-21-12-35(13-22(21)15-36)7-6-24(20-4-3-5-23(29)9-20)34-25(37)8-19-10-28(30,31)11-19/h3-5,9,16,19,21-22,24H,6-8,10-15H2,1-2H3,(H,34,37)/t21-,22+,24-/m0/s1 JDAMZZFWGUKIOM-ZDXQCDESSA-N 50318427 2-(3,3-difluorocyclobutyl)-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)acetamide::CHEMBL1095191 C-C chemokine receptor type 5 9 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318427&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888584 104152788 CHEMBL1095191 ZINC49784287 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912830 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C30H38F3N5O2/c1-19-28(20(2)35-18-34-19)29(40)38-16-23-14-37(15-24(23)17-38)11-8-26(22-4-3-5-25(31)13-22)36-27(39)12-21-6-9-30(32,33)10-7-21/h3-5,13,18,21,23-24,26H,6-12,14-17H2,1-2H3,(H,36,39)/t23-,24+,26-/m0/s1 IMJPQHNLQIVGPM-GSLIJJQTSA-N 50318428 2-(4,4-difluorocyclohexyl)-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)acetamide::CHEMBL1098357 C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318428&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888583 104152789 CHEMBL1098357 ZINC49803145 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912831 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCCC3)c3cccc(F)c3)C[C@@H]2C1 InChI=1S/C29H38FN5O2/c1-19-28(20(2)32-18-31-19)29(37)35-16-23-14-34(15-24(23)17-35)11-10-26(22-8-5-9-25(30)13-22)33-27(36)12-21-6-3-4-7-21/h5,8-9,13,18,21,23-24,26H,3-4,6-7,10-12,14-17H2,1-2H3,(H,33,36)/t23-,24+,26-/m0/s1 ZCKAAYPRCYMCMR-GSLIJJQTSA-N 50318429 2-cyclopentyl-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-(3-fluorophenyl)propyl)acetamide::CHEMBL1095816 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318429&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888582 104152790 CHEMBL1095816 ZINC49113148 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912832 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 InChI=1S/C28H35F2N5O2/c1-18-26(19(2)32-17-31-18)27(37)35-15-22-13-34(14-23(22)16-35)9-8-24(21-6-4-3-5-7-21)33-25(36)10-20-11-28(29,30)12-20/h3-7,17,20,22-24H,8-16H2,1-2H3,(H,33,36)/t22-,23+,24-/m0/s1 JDJKNPKGUPLZOR-VXNXHJTFSA-N 50318430 2-(3,3-difluorocyclobutyl)-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)acetamide::CHEMBL1095815 C-C chemokine receptor type 5 20 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318430&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888581 104152791 CHEMBL1095815 ZINC49088538 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912833 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H39F2N5O2/c1-20-28(21(2)34-19-33-20)29(39)37-17-24-15-36(16-25(24)18-37)13-10-26(23-6-4-3-5-7-23)35-27(38)14-22-8-11-30(31,32)12-9-22/h3-7,19,22,24-26H,8-18H2,1-2H3,(H,35,38)/t24-,25+,26-/m0/s1 UOOLYEVPOIRJIK-NXCFDTQHSA-N 50318431 2-(4,4-difluorocyclohexyl)-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)acetamide::CHEMBL1098014 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318431&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888566 104152792 CHEMBL1098014 ZINC49785013 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912834 Cc1cc(nc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1)C#N InChI=1S/C30H37N5O2/c1-20-14-26(15-31)32-21(2)28(20)30(37)35-18-24-16-34(17-25(24)19-35)13-12-27(22-8-4-3-5-9-22)33-29(36)23-10-6-7-11-23/h3-5,8-9,14,23-25,27H,6-7,10-13,16-19H2,1-2H3,(H,33,36)/t24-,25+,27-/m0/s1 JZDHTZPWSFVURY-WEWMWRJBSA-N 50318432 CHEMBL1095827::N-((S)-3-((3aR,6aS)-5-(6-cyano-2,4-dimethylnicotinoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 12 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318432&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888565 104152793 CHEMBL1095827 ZINC49784298 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912835 Cc1cc(=O)[nH]c(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H38N4O3/c1-19-14-26(34)30-20(2)27(19)29(36)33-17-23-15-32(16-24(23)18-33)13-12-25(21-8-4-3-5-9-21)31-28(35)22-10-6-7-11-22/h3-5,8-9,14,22-25H,6-7,10-13,15-18H2,1-2H3,(H,30,34)(H,31,35)/t23-,24+,25-/m0/s1 WWQVMNYCPDEQDJ-GVAUOCQISA-N 50318433 CHEMBL1095518::N-((S)-3-((3aR,6aS)-5-(2,4-dimethyl-6-oxo-1,6-dihydropyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 30 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318433&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888564 104152794 CHEMBL1095518 ZINC49070217 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912836 Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C28H37N5O2/c1-19-26(20(2)30-18-29-19)28(35)33-16-23-14-32(15-24(23)17-33)13-12-25(21-8-4-3-5-9-21)31-27(34)22-10-6-7-11-22/h3-5,8-9,18,22-25H,6-7,10-17H2,1-2H3,(H,31,34)/t23-,24+,25-/m0/s1 NOQUFNXYRUTQRV-GVAUOCQISA-N 50318434 CHEMBL1095517::N-((S)-3-((3aR,6aS)-5-(4,6-dimethylpyrimidine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 14 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318434&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888563 104152795 CHEMBL1095517 ZINC49070215 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912837 Cc1cc[n+]([O-])c(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H38N4O3/c1-20-12-15-33(36)21(2)27(20)29(35)32-18-24-16-31(17-25(24)19-32)14-13-26(22-8-4-3-5-9-22)30-28(34)23-10-6-7-11-23/h3-5,8-9,12,15,23-26H,6-7,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t24-,25+,26-/m0/s1 CPBYZXDHZNHBGI-NXCFDTQHSA-N 50318435 3-((3aR,6aS)-5-((S)-3-(cyclopentanecarboxamido)-3-phenylpropyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)-2,4-dimethylpyridine 1-oxide::CHEMBL1097170 C-C chemokine receptor type 5 44 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318435&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888546 104152796 CHEMBL1097170 ZINC49783801 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912838 Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H38N4O2/c1-20-12-14-30-21(2)27(20)29(35)33-18-24-16-32(17-25(24)19-33)15-13-26(22-8-4-3-5-9-22)31-28(34)23-10-6-7-11-23/h3-5,8-9,12,14,23-26H,6-7,10-11,13,15-19H2,1-2H3,(H,31,34)/t24-,25+,26-/m0/s1 IWRAPSCFSVGRAI-NXCFDTQHSA-N 50318436 CHEMBL1097169::N-((S)-3-((3aR,6aS)-5-(2,4-dimethylnicotinoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318436&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888545 104152797 CHEMBL1097169 ZINC49112692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912839 Cc1noc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C27H36N4O3/c1-18-25(19(2)34-29-18)27(33)31-16-22-14-30(15-23(22)17-31)13-12-24(20-8-4-3-5-9-20)28-26(32)21-10-6-7-11-21/h3-5,8-9,21-24H,6-7,10-17H2,1-2H3,(H,28,32)/t22-,23+,24-/m0/s1 GCVTWZLIFHQGCQ-VXNXHJTFSA-N 50318437 CHEMBL1096486::N-((S)-3-((3aR,6aS)-5-(3,5-dimethylisoxazole-4-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 19 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318437&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888544 104152798 CHEMBL1096486 ZINC35783877 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912840 COc1cc(C)c(C(=O)N2C[C@@H]3CN(CC[C@H](NC(=O)C4CCCC4)c4ccccc4)C[C@@H]3C2)c(C)c1 InChI=1S/C31H41N3O3/c1-21-15-27(37-3)16-22(2)29(21)31(36)34-19-25-17-33(18-26(25)20-34)14-13-28(23-9-5-4-6-10-23)32-30(35)24-11-7-8-12-24/h4-6,9-10,15-16,24-26,28H,7-8,11-14,17-20H2,1-3H3,(H,32,35)/t25-,26+,28-/m0/s1 XAXDOVSBAFYIDI-REUBFRLUSA-N 50318438 CHEMBL1097816::N-((S)-3-((3aR,6aS)-5-(4-methoxy-2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318438&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888526 104152799 CHEMBL1097816 ZINC35923472 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912841 Cc1cc(F)cc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H38FN3O2/c1-20-14-26(31)15-21(2)28(20)30(36)34-18-24-16-33(17-25(24)19-34)13-12-27(22-8-4-3-5-9-22)32-29(35)23-10-6-7-11-23/h3-5,8-9,14-15,23-25,27H,6-7,10-13,16-19H2,1-2H3,(H,32,35)/t24-,25+,27-/m0/s1 FQPZJAJAPZQKDN-WEWMWRJBSA-N 50318439 CHEMBL1097815::N-((S)-3-((3aR,6aS)-5-(4-fluoro-2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318439&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888525 104152800 CHEMBL1097815 ZINC49112810 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912842 Clc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C28H33Cl2N3O2/c29-23-11-6-12-24(30)26(23)28(35)33-17-21-15-32(16-22(21)18-33)14-13-25(19-7-2-1-3-8-19)31-27(34)20-9-4-5-10-20/h1-3,6-8,11-12,20-22,25H,4-5,9-10,13-18H2,(H,31,34)/t21-,22+,25-/m0/s1 RYPQMOYFQGEWGP-FBLLAGFSSA-N 50318440 CHEMBL1097515::N-((S)-3-((3aR,6aS)-5-(2,6-dichlorobenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 14 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318440&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888524 104152801 CHEMBL1097515 ZINC38276312 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912843 Cc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H36ClN3O2/c1-20-8-7-13-25(30)27(20)29(35)33-18-23-16-32(17-24(23)19-33)15-14-26(21-9-3-2-4-10-21)31-28(34)22-11-5-6-12-22/h2-4,7-10,13,22-24,26H,5-6,11-12,14-19H2,1H3,(H,31,34)/t23-,24+,26-/m0/s1 UAMFSDJWIBUFFW-GSLIJJQTSA-N 50318441 CHEMBL1096102::N-((S)-3-((3aR,6aS)-5-(2-chloro-6-methylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 9 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318441&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888499 104152802 CHEMBL1096102 ZINC35822285 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912844 CC(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C23H33N3O2/c1-17(27)26-15-20-13-25(14-21(20)16-26)12-11-22(18-7-3-2-4-8-18)24-23(28)19-9-5-6-10-19/h2-4,7-8,19-22H,5-6,9-16H2,1H3,(H,24,28)/t20-,21+,22-/m0/s1 TUWONPCQQPXZAL-BDTNDASRSA-N 50318442 CHEMBL1096101::N-((S)-3-((3aR,6aS)-5-acetylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 465 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318442&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888498 104152803 CHEMBL1096101 ZINC49784709 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912845 Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H37N3O3/c1-20-7-6-8-21(2)27(20)29(34)32-17-24-15-31(16-25(24)18-32)13-11-26(22-9-4-3-5-10-22)30-28(33)23-12-14-35-19-23/h3-10,23-26H,11-19H2,1-2H3,(H,30,33)/t23?,24-,25+,26-/m0/s1 QMEBBFPAAQCYOC-VGPBXHGJSA-N 50318443 CHEMBL1098151::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)tetrahydrofuran-3-carboxamide C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318443&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888497 104152804 CHEMBL1098151 ZINC49088035 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912846 Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)c3ccoc3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H33N3O3/c1-20-7-6-8-21(2)27(20)29(34)32-17-24-15-31(16-25(24)18-32)13-11-26(22-9-4-3-5-10-22)30-28(33)23-12-14-35-19-23/h3-10,12,14,19,24-26H,11,13,15-18H2,1-2H3,(H,30,33)/t24-,25+,26-/m0/s1 VVFJBOAJQRQKHT-NXCFDTQHSA-N 50318444 CHEMBL1098150::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)furan-3-carboxamide C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318444&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888496 104152805 CHEMBL1098150 ZINC35822273 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912847 Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H35N3O2/c1-22-10-9-11-23(2)29(22)31(36)34-20-26-18-33(19-27(26)21-34)17-16-28(24-12-5-3-6-13-24)32-30(35)25-14-7-4-8-15-25/h3-15,26-28H,16-21H2,1-2H3,(H,32,35)/t26-,27+,28-/m0/s1 HZRBQOVFGXEZMI-IARZGTGTSA-N 50318445 CHEMBL1096766::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)benzamide C-C chemokine receptor type 5 8 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318445&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888480 104152806 CHEMBL1096766 ZINC49793834 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912848 Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H39F2N3O2/c1-21-7-6-8-22(2)28(21)30(38)36-19-25-17-35(18-26(25)20-36)16-13-27(23-9-4-3-5-10-23)34-29(37)24-11-14-31(32,33)15-12-24/h3-10,24-27H,11-20H2,1-2H3,(H,34,37)/t25-,26+,27-/m0/s1 KIQJBZWNZGNCLV-VJGNERBWSA-N 50318446 CHEMBL1096765::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)-4,4-difluorocyclohexanecarboxamide C-C chemokine receptor type 5 4 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318446&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888479 104152807 CHEMBL1096765 ZINC49783783 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912849 Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C31H41N3O2/c1-22-10-9-11-23(2)29(22)31(36)34-20-26-18-33(19-27(26)21-34)17-16-28(24-12-5-3-6-13-24)32-30(35)25-14-7-4-8-15-25/h3,5-6,9-13,25-28H,4,7-8,14-21H2,1-2H3,(H,32,35)/t26-,27+,28-/m0/s1 KJCADBPKNMSYRY-IARZGTGTSA-N 50318447 CHEMBL1096764::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclohexanecarboxamide C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318447&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888478 104152808 CHEMBL1096764 ZINC49783782 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912850 Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C29H37N3O2/c1-20-8-6-9-21(2)27(20)29(34)32-18-24-16-31(17-25(24)19-32)15-14-26(22-10-4-3-5-11-22)30-28(33)23-12-7-13-23/h3-6,8-11,23-26H,7,12-19H2,1-2H3,(H,30,33)/t24-,25+,26-/m0/s1 XZRAIWIOQOHJQY-NXCFDTQHSA-N 50318448 CHEMBL1096768::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclobutanecarboxamide C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318448&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888456 104152809 CHEMBL1096768 ZINC49783870 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912851 CC(C)C(=O)N[C@@H](CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cccc1C)c1ccccc1 InChI=1S/C28H37N3O2/c1-19(2)27(32)29-25(22-11-6-5-7-12-22)13-14-30-15-23-17-31(18-24(23)16-30)28(33)26-20(3)9-8-10-21(26)4/h5-12,19,23-25H,13-18H2,1-4H3,(H,29,32)/t23-,24+,25-/m0/s1 PDLFIKSNWUULEQ-GVAUOCQISA-N 50318449 CHEMBL1096447::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)isobutyramide C-C chemokine receptor type 5 11 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318449&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888455 104152810 CHEMBL1096447 ZINC35836957 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912852 CC(=O)N[C@@H](CCN1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cccc1C)c1ccccc1 InChI=1S/C26H33N3O2/c1-18-8-7-9-19(2)25(18)26(31)29-16-22-14-28(15-23(22)17-29)13-12-24(27-20(3)30)21-10-5-4-6-11-21/h4-11,22-24H,12-17H2,1-3H3,(H,27,30)/t22-,23+,24-/m0/s1 YJERRNADFBSBJV-VXNXHJTFSA-N 50318450 CHEMBL1096446::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)acetamide C-C chemokine receptor type 5 15 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318450&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888454 104152811 CHEMBL1096446 ZINC35836872 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50912853 Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 InChI=1S/C30H39N3O2/c1-21-9-8-10-22(2)28(21)30(35)33-19-25-17-32(18-26(25)20-33)16-15-27(23-11-4-3-5-12-23)31-29(34)24-13-6-7-14-24/h3-5,8-12,24-27H,6-7,13-20H2,1-2H3,(H,31,34)/t25-,26+,27-/m0/s1 KOSURTOZOCPWIN-VJGNERBWSA-N 50318451 CHEMBL1096445::N-((S)-3-((3aR,6aS)-5-(2,6-dimethylbenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-1-phenylpropyl)cyclopentanecarboxamide C-C chemokine receptor type 5 6 ChEMBL 10.1016/j.bmcl.2010.03.095 10.7270/Q27S7PQ2 20417098 Rotstein, DM; Melville, CR; Padilla, F; Cournoyer, D; Lee, EK; Lemoine, R; Petersen, AC; Setti, LQ; Wanner, J; Chen, L; Filonova, L; Loughhead, DG; Manka, J; Lin, XF; Gleason, S; Sankuratri, S; Ji, C; Derosier, A; Dioszegi, M; Heilek, G; Jekle, A; Berry, P; Mau, CI; Weller, P Roche Palo Alto LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318451&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 46888453 104152812 CHEMBL1096445 ZINC35862988 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924260 COc1ccc(Br)cc1CN1CCCC(C1)C(=O)N1CCCCC1 InChI=1S/C19H27BrN2O2/c1-24-18-8-7-17(20)12-16(18)14-21-9-5-6-15(13-21)19(23)22-10-3-2-4-11-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3 POCCWDXEMQOTQF-UHFFFAOYSA-N 50378977 CHEMBL1621896 C-C chemokine receptor type 5 49000 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3373405 160858060 CHEMBL1621896 ZINC01277861 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924261 COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15) OUZKJGOSIGMDHS-UHFFFAOYSA-N 50378978 CHEMBL2011440 C-C chemokine receptor type 5 10800 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10287138 160858061 CHEMBL2011440 ZINC38459482 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924262 COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14) TZYSLHTWOJFPSJ-UHFFFAOYSA-N 50378979 CHEMBL2011441 C-C chemokine receptor type 5 28600 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10215932 160858062 CHEMBL2011441 ZINC38388584 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924263 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 25 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924264 CC(C)NCc1cc(Br)ccc1OCc1ccccc1 InChI=1S/C17H20BrNO/c1-13(2)19-11-15-10-16(18)8-9-17(15)20-12-14-6-4-3-5-7-14/h3-10,13,19H,11-12H2,1-2H3 IIIVMSZGSFSEHF-UHFFFAOYSA-N 50378980 CHEMBL1618631 C-C chemokine receptor type 5 10000 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 2984051 160858063 CHEMBL1618631 ZINC04821209 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924265 Brc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1 InChI=1S/C20H19BrN2O/c21-18-9-10-20(24-15-16-6-2-1-3-7-16)17(12-18)13-22-14-19-8-4-5-11-23-19/h1-12,22H,13-15H2 CKZWAKFMBLJCHI-UHFFFAOYSA-N 50378981 CHEMBL2011439 C-C chemokine receptor type 5 8200 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378981&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 1017997 160858064 CHEMBL2011439 ZINC04622045 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924266 CC(C)(CO)NCc1cc(Br)ccc1OCc1ccccc1 InChI=1S/C18H22BrNO2/c1-18(2,13-21)20-11-15-10-16(19)8-9-17(15)22-12-14-6-4-3-5-7-14/h3-10,20-21H,11-13H2,1-2H3 RJAPAJNDQQTHRE-UHFFFAOYSA-N 50378982 CHEMBL1623307 C-C chemokine receptor type 5 27500 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378982&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 1017290 160858065 CHEMBL1623307 ZINC04222999 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924267 Brc1ccc(OCc2ccccc2)c(CNCC2CCCO2)c1 InChI=1S/C19H22BrNO2/c20-17-8-9-19(23-14-15-5-2-1-3-6-15)16(11-17)12-21-13-18-7-4-10-22-18/h1-3,5-6,8-9,11,18,21H,4,7,10,12-14H2 PREAXUKGCQUJBJ-UHFFFAOYSA-N 50378983 CHEMBL1907216 C-C chemokine receptor type 5 18400 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378983&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 2964123 160858066 CHEMBL1907216 ZINC04657492 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924268 COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15) OUZKJGOSIGMDHS-UHFFFAOYSA-N 50378978 CHEMBL2011440 C-C chemokine receptor type 5 17500 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10287138 160858061 CHEMBL2011440 ZINC38459482 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50924269 COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14) TZYSLHTWOJFPSJ-UHFFFAOYSA-N 50378979 CHEMBL2011441 C-C chemokine receptor type 5 22600 ChEMBL 10.1021/ml2000017 10.7270/Q2X0682G 21765967 Navratilova, I; Besnard, J; Hopkins, AL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50378979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50378979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10215932 160858062 CHEMBL2011441 ZINC38388584 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949660 CCCCCCCC\C=C/c1c(C)nc(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C28H47N/c1-6-8-10-12-14-16-18-20-22-27-24(3)28(26(5)29-25(27)4)23-21-19-17-15-13-11-9-7-2/h20-23H,6-19H2,1-5H3/b22-20-,23-21- WSTOGLHLXXYAKJ-YEUCEMRASA-N 50387952 CHEMBL2057808 C-C chemokine receptor type 5 >100000 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387952&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62707285 160867035 CHEMBL2057808 ZINC84687116 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949663 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)cc1C InChI=1S/C20H32N/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21/h11,13,16H,4-10,12,14-15H2,1-3H3/q+1/b13-11- AGGJXWWYHWPZGM-QBFSEMIESA-N 50387950 CHEMBL2057534 C-C chemokine receptor type 5 9200 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387950&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62707282 160867033 CHEMBL2057534 ZINC84710497 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949664 CCCCCCCC\C=C/c1c(C)nc(CCCOC)c(\C=C/CCCCCCCC)c1C InChI=1S/C31H53NO/c1-6-8-10-12-14-16-18-20-23-29-27(3)30(24-21-19-17-15-13-11-9-7-2)31(32-28(29)4)25-22-26-33-5/h20-21,23-24H,6-19,22,25-26H2,1-5H3/b23-20-,24-21- BLXDRSYLTIHVQR-XFUYORNGSA-N 50387953 CHEMBL2057809 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62707286 160867036 CHEMBL2057809 ZINC84687117 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949665 CCCCCCCC\C=C/c1c(C)cc(CCCOC)nc1C InChI=1S/C21H35NO/c1-5-6-7-8-9-10-11-12-15-21-18(2)17-20(22-19(21)3)14-13-16-23-4/h12,15,17H,5-11,13-14,16H2,1-4H3/b15-12- NVVNWMUZZOSCFN-QINSGFPZSA-N 50389582 CHEMBL2064162 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389582&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70692897 160868665 CHEMBL2064162 ZINC84652679 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949666 CCCCCCCC\C=C/c1c(C)cc(C)nc1CCCOC InChI=1S/C21H35NO/c1-5-6-7-8-9-10-11-12-14-20-18(2)17-19(3)22-21(20)15-13-16-23-4/h12,14,17H,5-11,13,15-16H2,1-4H3/b14-12- CXGGHNPAIGMMTH-OWBHPGMISA-N 50389583 CHEMBL2064163 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389583&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70694934 160868666 CHEMBL2064163 ZINC84652680 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949667 CCCCCCCC\C=C/c1c(C)cc(C)nc1C InChI=1S/C18H29N/c1-5-6-7-8-9-10-11-12-13-18-15(2)14-16(3)19-17(18)4/h12-14H,5-11H2,1-4H3/b13-12- BQXJCXDOLDLMQE-SEYXRHQNSA-N 50389584 CHEMBL2064164 C-C chemokine receptor type 5 >30000 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389584&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70694935 160868667 CHEMBL2064164 ZINC84652681 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949668 CCCCCCCC\C=C\c1c2CCC[n+]2c(C)c(\C=C\CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19+,23-20+ LOTZSYKJMYSNJV-WDAKLKSISA-N 50351144 CHEMBL1817909::CHEMBL2057810 C-C chemokine receptor type 5 6500 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351144&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16658856 136357830 CHEMBL1817909CHEMBL2057810 ZINC72106812 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949669 CCCCCCCCCCc1c2CCC[n+]2c(C)c(CCCCCCCCCC)c1C InChI=1S/C30H54N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1 CNZJTHNSMCRQFK-UHFFFAOYSA-N 50351145 CHEMBL1817910::CHEMBL2057811 C-C chemokine receptor type 5 7800 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351145&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56669616 136357831 CHEMBL2057811CHEMBL1817910 ZINC72104838 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949670 CCCCCCCC\C=C\c1c2CCC[n+]2c(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19-,23-20+ LOTZSYKJMYSNJV-XOODDYIFSA-N 50387956 CHEMBL2057812 C-C chemokine receptor type 5 10100 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54752873 160867039 CHEMBL2057812 ZINC84687118 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949671 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C\CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19+,23-20- LOTZSYKJMYSNJV-JMALZQNKSA-N 50387957 CHEMBL2057813 C-C chemokine receptor type 5 9200 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54752875 160867040 CHEMBL2057813 ZINC84672389 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949672 CCCCCCCC\C=C/c1c(C)c(\C=C/CCCCCCCC)c2CCCC[n+]2c1C InChI=1S/C31H52N/c1-5-7-9-11-13-15-17-19-23-29-27(3)30(24-20-18-16-14-12-10-8-6-2)31-25-21-22-26-32(31)28(29)4/h19-20,23-24H,5-18,21-22,25-26H2,1-4H3/q+1/b23-19-,24-20- GMJKRAXSJAWNNL-SRPFLQSCSA-N 50351146 CHEMBL1817911::CHEMBL2057814 C-C chemokine receptor type 5 10000 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351146&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53389085 136357832 CHEMBL1817911CHEMBL2057814 ZINC72105506 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949673 CCCCCCCC\C=C/c1c(C)c(\C=C/CCCCCCCC)c2CCCCC[n+]2c1C InChI=1S/C32H54N/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4/h20-21,24-25H,5-19,22-23,26-27H2,1-4H3/q+1/b24-20-,25-21- UDNLPXQKOGXVID-VQINFILPSA-N 50351149 CHEMBL1817914::CHEMBL2057815 C-C chemokine receptor type 5 8400 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351149&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56683103 136357835 CHEMBL1817914CHEMBL2057815 ZINC72106644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949674 CCCCCCCC\C=C\c1c(C)cc2CCC[n+]2c1C InChI=1S/C20H32N/c1-4-5-6-7-8-9-10-11-14-20-17(2)16-19-13-12-15-21(19)18(20)3/h11,14,16H,4-10,12-13,15H2,1-3H3/q+1/b14-11+ DXDFWADNZLVOHG-SDNWHVSQSA-N 50389585 CHEMBL2064263 C-C chemokine receptor type 5 13700 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389585&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70694942 160868668 CHEMBL2064263 ZINC84711578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949675 CCCCCCCCCCc1c(C)cc2CCC[n+]2c1C InChI=1S/C20H34N/c1-4-5-6-7-8-9-10-11-14-20-17(2)16-19-13-12-15-21(19)18(20)3/h16H,4-15H2,1-3H3/q+1 ONRJJWILNVOFPK-UHFFFAOYSA-N 50389586 CHEMBL2064264 C-C chemokine receptor type 5 16400 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389586&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70688700 160868669 CHEMBL2064264 ZINC84708451 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949676 CCCCCCCC\C=C\c1c2CCC[n+]2c(C)cc1C InChI=1S/C20H32N/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21/h11,13,16H,4-10,12,14-15H2,1-3H3/q+1/b13-11+ AGGJXWWYHWPZGM-ACCUITESSA-N 50389587 CHEMBL2064265 C-C chemokine receptor type 5 9200 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389587&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70692903 160868670 CHEMBL2064265 ZINC84672065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949677 CCCCCCCCCCc1c2CCC[n+]2c(C)cc1C InChI=1S/C20H34N/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21/h16H,4-15H2,1-3H3/q+1 ATHMHEARKLAHSF-UHFFFAOYSA-N 50389588 CHEMBL2064266 C-C chemokine receptor type 5 10500 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389588&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70690766 160868671 CHEMBL2064266 ZINC84705698 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949661 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19-,23-20- LOTZSYKJMYSNJV-IKJQKJQYSA-N 50242053 6,8-didec-(1Z)-enyl-5,7-dimethyl-2,3-dihydro-1H-indolizinium trifluoroacetic acid salt::Anibamine::CHEMBL2057533::CHEMBL469649::anibamine TFA C-C chemokine receptor type 5 5400 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6479877 104098933 CHEMBL469649CHEMBL2057533 ZINC44405966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50949662 CCCCCCCC\C=C/c1c(C)cc2CCC[n+]2c1C InChI=1S/C20H32N/c1-4-5-6-7-8-9-10-11-14-20-17(2)16-19-13-12-15-21(19)18(20)3/h11,14,16H,4-10,12-13,15H2,1-3H3/q+1/b14-11- DXDFWADNZLVOHG-KAMYIIQDSA-N 50387951 CHEMBL2057807 C-C chemokine receptor type 5 16300 ChEMBL 10.1016/j.ejmech.2012.07.049 10.7270/Q2Q2419S 22901310 Zhang, F; Arnatt, CK; Haney, KM; Fang, HC; Bajacan, JE; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387951&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62707284 160867034 CHEMBL2057807 ZINC84690506 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945668 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19-,23-20- LOTZSYKJMYSNJV-IKJQKJQYSA-N 50242053 6,8-didec-(1Z)-enyl-5,7-dimethyl-2,3-dihydro-1H-indolizinium trifluoroacetic acid salt::Anibamine::CHEMBL2057533::CHEMBL469649::anibamine TFA C-C chemokine receptor type 5 5400 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6479877 104098933 CHEMBL469649CHEMBL2057533 ZINC44405966 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945669 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)cc1C InChI=1S/C20H32N/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21/h11,13,16H,4-10,12,14-15H2,1-3H3/q+1/b13-11- AGGJXWWYHWPZGM-QBFSEMIESA-N 50387950 CHEMBL2057534 C-C chemokine receptor type 5 9200 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387950&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62707282 160867033 CHEMBL2057534 ZINC84710497 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945670 CCCCCCCC\C=C/c1c(C)cc2CCC[n+]2c1C InChI=1S/C20H32N/c1-4-5-6-7-8-9-10-11-14-20-17(2)16-19-13-12-15-21(19)18(20)3/h11,14,16H,4-10,12-13,15H2,1-3H3/q+1/b14-11- DXDFWADNZLVOHG-KAMYIIQDSA-N 50387951 CHEMBL2057807 C-C chemokine receptor type 5 16300 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387951&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62707284 160867034 CHEMBL2057807 ZINC84690506 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945671 CCCCCCCC\C=C/c1c(C)nc(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C28H47N/c1-6-8-10-12-14-16-18-20-22-27-24(3)28(26(5)29-25(27)4)23-21-19-17-15-13-11-9-7-2/h20-23H,6-19H2,1-5H3/b22-20-,23-21- WSTOGLHLXXYAKJ-YEUCEMRASA-N 50387952 CHEMBL2057808 C-C chemokine receptor type 5 >100000 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387952&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62707285 160867035 CHEMBL2057808 ZINC84687116 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945672 CCCCCCCC\C=C/c1c(C)nc(CCCOC)c(\C=C/CCCCCCCC)c1C InChI=1S/C31H53NO/c1-6-8-10-12-14-16-18-20-23-29-27(3)30(24-21-19-17-15-13-11-9-7-2)31(32-28(29)4)25-22-26-33-5/h20-21,23-24H,6-19,22,25-26H2,1-5H3/b23-20-,24-21- BLXDRSYLTIHVQR-XFUYORNGSA-N 50387953 CHEMBL2057809 C-C chemokine receptor type 5 >100000 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62707286 160867036 CHEMBL2057809 ZINC84687117 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945673 CCCCCCCC\C=C\c1c2CCC[n+]2c(C)c(\C=C\CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19+,23-20+ LOTZSYKJMYSNJV-WDAKLKSISA-N 50351144 CHEMBL1817909::CHEMBL2057810 C-C chemokine receptor type 5 6500 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351144&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16658856 136357830 CHEMBL1817909CHEMBL2057810 ZINC72106812 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945674 CCCCCCCCCCc1c2CCC[n+]2c(C)c(CCCCCCCCCC)c1C InChI=1S/C30H54N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3/q+1 CNZJTHNSMCRQFK-UHFFFAOYSA-N 50351145 CHEMBL1817910::CHEMBL2057811 C-C chemokine receptor type 5 7800 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351145&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56669616 136357831 CHEMBL2057811CHEMBL1817910 ZINC72104838 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945675 CCCCCCCC\C=C\c1c2CCC[n+]2c(C)c(\C=C/CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19-,23-20+ LOTZSYKJMYSNJV-XOODDYIFSA-N 50387956 CHEMBL2057812 C-C chemokine receptor type 5 10100 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54752873 160867039 CHEMBL2057812 ZINC84687118 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945676 CCCCCCCC\C=C/c1c2CCC[n+]2c(C)c(\C=C\CCCCCCCC)c1C InChI=1S/C30H50N/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30-24-21-25-31(30)27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23H,5-18,21,24-25H2,1-4H3/q+1/b22-19+,23-20- LOTZSYKJMYSNJV-JMALZQNKSA-N 50387957 CHEMBL2057813 C-C chemokine receptor type 5 9200 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50387957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50387957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54752875 160867040 CHEMBL2057813 ZINC84672389 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945677 CCCCCCCC\C=C/c1c(C)c(\C=C/CCCCCCCC)c2CCCC[n+]2c1C InChI=1S/C31H52N/c1-5-7-9-11-13-15-17-19-23-29-27(3)30(24-20-18-16-14-12-10-8-6-2)31-25-21-22-26-32(31)28(29)4/h19-20,23-24H,5-18,21-22,25-26H2,1-4H3/q+1/b23-19-,24-20- GMJKRAXSJAWNNL-SRPFLQSCSA-N 50351146 CHEMBL1817911::CHEMBL2057814 C-C chemokine receptor type 5 10000 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351146&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53389085 136357832 CHEMBL1817911CHEMBL2057814 ZINC72105506 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945678 CCCCCCCC\C=C/c1c(C)c(\C=C/CCCCCCCC)c2CCCCC[n+]2c1C InChI=1S/C32H54N/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4/h20-21,24-25H,5-19,22-23,26-27H2,1-4H3/q+1/b24-20-,25-21- UDNLPXQKOGXVID-VQINFILPSA-N 50351149 CHEMBL1817914::CHEMBL2057815 C-C chemokine receptor type 5 8400 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351149&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56683103 136357835 CHEMBL1817914CHEMBL2057815 ZINC72106644 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945679 CCCCCCCC\C=C\c1c(C)c(\C=C\CCCCCCCC)c2CCCC[n+]2c1C InChI=1S/C31H52N/c1-5-7-9-11-13-15-17-19-23-29-27(3)30(24-20-18-16-14-12-10-8-6-2)31-25-21-22-26-32(31)28(29)4/h19-20,23-24H,5-18,21-22,25-26H2,1-4H3/q+1/b23-19+,24-20+ GMJKRAXSJAWNNL-BLVCXSLXSA-N 50351147 CHEMBL1817912::CHEMBL2057816 C-C chemokine receptor type 5 4600 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351147&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53389083 136357833 CHEMBL2057816CHEMBL1817912 ZINC72105915 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945680 CCCCCCCC\C=C\c1c(C)c(\C=C\CCCCCCCC)c2CCCCC[n+]2c1C InChI=1S/C32H54N/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4/h20-21,24-25H,5-19,22-23,26-27H2,1-4H3/q+1/b24-20+,25-21+ UDNLPXQKOGXVID-CTWPWMDCSA-N 50351150 CHEMBL1817915::CHEMBL2057817 C-C chemokine receptor type 5 48100 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351150&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56659272 136357836 CHEMBL1817915CHEMBL2057817 ZINC72106071 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945681 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2CCCC[n+]2c1C InChI=1S/C31H56N/c1-5-7-9-11-13-15-17-19-23-29-27(3)30(24-20-18-16-14-12-10-8-6-2)31-25-21-22-26-32(31)28(29)4/h5-26H2,1-4H3/q+1 MNUFBGVKCOWOIH-UHFFFAOYSA-N 50351148 CHEMBL1817913::CHEMBL2057818 C-C chemokine receptor type 5 15200 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351148&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56673134 136357834 CHEMBL2057818CHEMBL1817913 ZINC72116520 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50945682 CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2CCCCC[n+]2c1C InChI=1S/C32H58N/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4/h5-27H2,1-4H3/q+1 ZNXOJLMQBASDDD-UHFFFAOYSA-N 50351151 CHEMBL1817916::CHEMBL2057819 C-C chemokine receptor type 5 37600 ChEMBL 10.1016/j.bmcl.2012.05.127 10.7270/Q2K075B3 22770928 Zhang, Y; Arnatt, CK; Zhang, F; Wang, J; Haney, KM; Fang, X Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351151&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56676455 136357837 CHEMBL2057819CHEMBL1817916 ZINC72106711 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50939974 CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 OOGWCCRYNCAIBK-QGZVFWFLSA-N 50385450 CHEMBL2036782 C-C chemokine receptor type 5 22 ChEMBL 10.1016/j.bmcl.2012.04.118 10.7270/Q2PG1SRD 22608963 Cumming, JG; Bower, JF; Waterson, D; Faull, A; Poyser, PJ; Turner, P; McDermott, B; Campbell, AD; Hudson, J; James, M; Winter, J; Wood, C AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50385450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50385450&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57656833 160864533 CHEMBL2036782 ZINC84725738 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961778 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C31H38ClN5O4S/c1-20-16-27(32)35-22(3)28(20)29(38)33-12-8-21(2)36-13-9-26(10-14-36)37(18-24-11-15-42-19-24)31(41)34-17-23-4-6-25(7-5-23)30(39)40/h4-7,11,15-16,19,21,26H,8-10,12-14,17-18H2,1-3H3,(H,33,38)(H,34,41)(H,39,40)/t21-/m1/s1 WVMWTHYWUBAMRF-OAQYLSRUSA-N 50394586 CHEMBL2164212 C-C chemokine receptor type 5 0.5 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394586&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15940498 163343610 CHEMBL2164212 ZINC59353335 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961779 COCCONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C26H38ClN5O4S/c1-18-15-23(27)29-20(3)24(18)25(33)28-9-5-19(2)31-10-6-22(7-11-31)32(16-21-8-14-37-17-21)26(34)30-36-13-12-35-4/h8,14-15,17,19,22H,5-7,9-13,16H2,1-4H3,(H,28,33)(H,30,34)/t19-/m1/s1 JEEQEUWCFNPVRU-LJQANCHMSA-N 50394587 CHEMBL2164211 C-C chemokine receptor type 5 0.3 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394587&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57384006 163343611 CHEMBL2164211 ZINC95556484 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961780 CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N InChI=1S/C24H31ClN6O3S/c1-16-12-19(13-26)28-22(25)21(16)23(32)27-8-4-17(2)30-9-5-20(6-10-30)31(24(33)29-34-3)14-18-7-11-35-15-18/h7,11-12,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,29,33)/t17-/m1/s1 RMGICGFOXRNYOB-QGZVFWFLSA-N 50394588 CHEMBL2164210 C-C chemokine receptor type 5 0.1 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394588&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15941086 163343612 CHEMBL2164210 ZINC34775315 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961781 CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)[n+]([O-])c1Cl InChI=1S/C23H31Cl2N5O4S/c1-15-12-19(24)30(33)21(25)20(15)22(31)26-8-4-16(2)28-9-5-18(6-10-28)29(23(32)27-34-3)13-17-7-11-35-14-17/h7,11-12,14,16,18H,4-6,8-10,13H2,1-3H3,(H,26,31)(H,27,32)/t16-/m1/s1 JYHDXEQCKKUCHU-MRXNPFEDSA-N 50394589 CHEMBL2164209 C-C chemokine receptor type 5 0.4 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394589&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458061 163343613 CHEMBL2164209 ZINC95552808 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961782 CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1C)C(=O)NC(C)C InChI=1S/C28H42N6O4S/c1-18(2)30-26(35)24-15-19(3)25(21(5)31-24)27(36)29-11-7-20(4)33-12-8-23(9-13-33)34(28(37)32-38-6)16-22-10-14-39-17-22/h10,14-15,17-18,20,23H,7-9,11-13,16H2,1-6H3,(H,29,36)(H,30,35)(H,32,37)/t20-/m1/s1 UKQKNLSWCMOIOV-HXUWFJFHSA-N 50394590 CHEMBL2164208 C-C chemokine receptor type 5 0.4 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394590&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458228 163343614 CHEMBL2164208 ZINC95553982 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961783 CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1Cl InChI=1S/C23H31Cl2N5O3S/c1-15-12-19(24)27-21(25)20(15)22(31)26-8-4-16(2)29-9-5-18(6-10-29)30(23(32)28-33-3)13-17-7-11-34-14-17/h7,11-12,14,16,18H,4-6,8-10,13H2,1-3H3,(H,26,31)(H,28,32)/t16-/m1/s1 KDARXVILVONBOM-MRXNPFEDSA-N 50394591 CHEMBL2164207 C-C chemokine receptor type 5 0.08 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394591&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15941255 163343615 CHEMBL2164207 ZINC34775579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961784 CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C24H34ClN5O3S/c1-16-13-21(25)27-18(3)22(16)23(31)26-9-5-17(2)29-10-6-20(7-11-29)30(24(32)28-33-4)14-19-8-12-34-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,31)(H,28,32)/t17-/m1/s1 AOXSXQRGGNJIMQ-QGZVFWFLSA-N 50394592 CHEMBL2164206 C-C chemokine receptor type 5 0.3 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394592&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57384005 163343616 CHEMBL2164206 ZINC95555349 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961785 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)NO InChI=1S/C23H32ClN5O3S/c1-15-12-20(24)26-17(3)21(15)22(30)25-8-4-16(2)28-9-5-19(6-10-28)29(23(31)27-32)13-18-7-11-33-14-18/h7,11-12,14,16,19,32H,4-6,8-10,13H2,1-3H3,(H,25,30)(H,27,31)/t16-/m1/s1 YKXXIIVYICOTPX-MRXNPFEDSA-N 50394593 CHEMBL2164205 C-C chemokine receptor type 5 0.3 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394593&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15940799 163343617 CHEMBL2164205 ZINC34774897 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961786 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)N(C)C InChI=1S/C25H36ClN5O2S/c1-17-14-22(26)28-19(3)23(17)24(32)27-10-6-18(2)30-11-7-21(8-12-30)31(25(33)29(4)5)15-20-9-13-34-16-20/h9,13-14,16,18,21H,6-8,10-12,15H2,1-5H3,(H,27,32)/t18-/m1/s1 UNRRILBYCRANNY-GOSISDBHSA-N 50394594 CHEMBL2164204 C-C chemokine receptor type 5 48.4 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394594&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15942352 163343618 CHEMBL2164204 ZINC34777776 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961787 CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C24H34ClN5O2S/c1-16-13-21(25)28-18(3)22(16)23(31)27-9-5-17(2)29-10-6-20(7-11-29)30(24(32)26-4)14-19-8-12-33-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,32)(H,27,31)/t17-/m1/s1 JVBGFQFFBPVDIF-QGZVFWFLSA-N 50394595 CHEMBL2164203 C-C chemokine receptor type 5 0.3 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394595&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62706110 163343619 CHEMBL2164203 ZINC95557507 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961788 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CN1CCOC1=O InChI=1S/C27H36ClN5O4S/c1-18-14-23(28)30-20(3)25(18)26(35)29-8-4-19(2)31-9-5-22(6-10-31)33(15-21-7-13-38-17-21)24(34)16-32-11-12-37-27(32)36/h7,13-14,17,19,22H,4-6,8-12,15-16H2,1-3H3,(H,29,35)/t19-/m1/s1 IFHNDUBHVVVGSX-LJQANCHMSA-N 50394596 CHEMBL2164202 C-C chemokine receptor type 5 0.1 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394596&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15940800 163343620 CHEMBL2164202 ZINC43151573 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961789 C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC1CCOCC1 InChI=1S/C30H41N5O3S/c1-21-16-26(18-31)33-23(3)29(21)30(37)32-10-4-22(2)34-11-5-27(6-12-34)35(19-25-9-15-39-20-25)28(36)17-24-7-13-38-14-8-24/h9,15-16,20,22,24,27H,4-8,10-14,17,19H2,1-3H3,(H,32,37)/t22-/m1/s1 VQCGLGMTXRSPOQ-JOCHJYFZSA-N 50394597 CHEMBL2164201 C-C chemokine receptor type 5 0.8 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394597&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62706109 163343621 CHEMBL2164201 ZINC95552927 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961790 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC#N InChI=1S/C25H32ClN5O2S/c1-17-14-22(26)29-19(3)24(17)25(33)28-10-5-18(2)30-11-6-21(7-12-30)31(23(32)4-9-27)15-20-8-13-34-16-20/h8,13-14,16,18,21H,4-7,10-12,15H2,1-3H3,(H,28,33)/t18-/m1/s1 ALMMUBAXVULMLF-GOSISDBHSA-N 50394598 CHEMBL2164220 C-C chemokine receptor type 5 0.4 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394598&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15940801 163343622 CHEMBL2164220 ZINC34774899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961791 COCC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C InChI=1S/C25H35ClN4O3S/c1-17-13-22(26)28-19(3)24(17)25(32)27-9-5-18(2)29-10-6-21(7-11-29)30(23(31)15-33-4)14-20-8-12-34-16-20/h8,12-13,16,18,21H,5-7,9-11,14-15H2,1-4H3,(H,27,32)/t18-/m1/s1 BUPUWXSDCRZSDH-GOSISDBHSA-N 50394599 CHEMBL2164219 C-C chemokine receptor type 5 0.4 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394599&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15941083 163343623 CHEMBL2164219 ZINC34775309 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961792 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(C)=O InChI=1S/C24H33ClN4O2S/c1-16-13-22(25)27-18(3)23(16)24(31)26-9-5-17(2)28-10-6-21(7-11-28)29(19(4)30)14-20-8-12-32-15-20/h8,12-13,15,17,21H,5-7,9-11,14H2,1-4H3,(H,26,31)/t17-/m1/s1 FAMPZNLMZWHXDA-QGZVFWFLSA-N 50394600 CHEMBL2164218 C-C chemokine receptor type 5 0.9 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394600&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62706108 163343624 CHEMBL2164218 ZINC95557556 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961793 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)Nc1cccnc1 InChI=1S/C28H35ClN6O2S/c1-19-15-25(29)32-21(3)26(19)27(36)31-11-6-20(2)34-12-7-24(8-13-34)35(17-22-9-14-38-18-22)28(37)33-23-5-4-10-30-16-23/h4-5,9-10,14-16,18,20,24H,6-8,11-13,17H2,1-3H3,(H,31,36)(H,33,37)/t20-/m1/s1 BNNGWNXPMYMWRI-HXUWFJFHSA-N 50394601 CHEMBL2164217 C-C chemokine receptor type 5 0.11 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394601&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62706107 163343625 CHEMBL2164217 ZINC95556452 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961794 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)Nc1cccnc1 InChI=1S/C30H38ClN7O2/c1-20-7-12-33-17-24(20)19-38(30(40)36-25-6-5-11-32-18-25)26-9-14-37(15-10-26)22(3)8-13-34-29(39)28-21(2)16-27(31)35-23(28)4/h5-7,11-12,16-18,22,26H,8-10,13-15,19H2,1-4H3,(H,34,39)(H,36,40)/t22-/m1/s1 YFCXGZOWAVGWJN-JOCHJYFZSA-N 50394602 CHEMBL2164216 C-C chemokine receptor type 5 14.3 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394602&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71458737 163343626 CHEMBL2164216 ZINC95556840 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961795 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1ccsc1)C(=O)CC1CCOCC1 InChI=1S/C29H41ClN4O3S/c1-20-16-26(30)32-22(3)28(20)29(36)31-10-4-21(2)33-11-5-25(6-12-33)34(18-24-9-15-38-19-24)27(35)17-23-7-13-37-14-8-23/h9,15-16,19,21,23,25H,4-8,10-14,17-18H2,1-3H3,(H,31,36)/t21-/m1/s1 BWBKZHLNVLQLSF-OAQYLSRUSA-N 50394603 CHEMBL2164215 C-C chemokine receptor type 5 0.7 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394603&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 62706106 163343627 CHEMBL2164215 ZINC59353609 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961796 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)C(=O)CC1CCOCC1 InChI=1S/C31H44ClN5O3/c1-21-5-11-33-19-26(21)20-37(29(38)18-25-9-15-40-16-10-25)27-7-13-36(14-8-27)23(3)6-12-34-31(39)30-22(2)17-28(32)35-24(30)4/h5,11,17,19,23,25,27H,6-10,12-16,18,20H2,1-4H3,(H,34,39)/t23-/m1/s1 GMQFBAWGLGVDPZ-HSZRJFAPSA-N 50394604 CHEMBL2164214 C-C chemokine receptor type 5 31.1 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394604&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71451541 163343628 CHEMBL2164214 ZINC95556786 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961797 COc1ccc(cc1)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C InChI=1S/C28H37N5O2S/c1-20(9-13-29-28(34)27-21(2)30-19-31-22(27)3)32-14-10-25(11-15-32)33(17-23-12-16-36-18-23)24-5-7-26(35-4)8-6-24/h5-8,12,16,18-20,25H,9-11,13-15,17H2,1-4H3,(H,29,34)/t20-/m1/s1 FGAWJCZNJAGAHI-HXUWFJFHSA-N 50394605 CHEMBL2164213 C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394605&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71458736 163343629 CHEMBL2164213 ZINC95556489 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50961798 COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C InChI=1S/C30H40N6O2/c1-21-10-14-31-18-25(21)19-36(26-6-8-28(38-5)9-7-26)27-12-16-35(17-13-27)22(2)11-15-32-30(37)29-23(3)33-20-34-24(29)4/h6-10,14,18,20,22,27H,11-13,15-17,19H2,1-5H3,(H,32,37)/t22-/m1/s1 VZZNMMJHZKXMCT-JOCHJYFZSA-N 50359492 CHEMBL1926888 C-C chemokine receptor type 5 10.9 ChEMBL 10.1021/ml2002604 10.7270/Q2T43V6M 24900457 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Danthi, S; Langille, J; Harwig, C; Veale, D; Carpenter, B; Ba, T; Bey, M; Baird, I; Wilson, T; Metz, M; MacFarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Huskens, D; Schols, D TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359492&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44511967 136963516 CHEMBL1926888 ZINC82154765 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50973524 CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1 InChI=1S/C23H27ClN2O2/c1-16(2)21(25-22(27)19-6-4-3-5-7-19)23(28)26-14-12-18(13-15-26)17-8-10-20(24)11-9-17/h3-11,16,18,21H,12-15H2,1-2H3,(H,25,27)/t21-/m1/s1 TYQNFWIJWOXJPV-OAQYLSRUSA-N 50399208 CHEMBL2180528 C-C chemokine receptor type 5 >20000 ChEMBL 10.1021/jm300896d 10.7270/Q2ST7R0S 23075267 Cavallaro, CL; Briceno, S; Chen, J; Cvijic, ME; Davies, P; Hynes, J; Liu, RQ; Mandlekar, S; Rose, AV; Tebben, AJ; Van Kirk, K; Watson, A; Wu, H; Yang, G; Carter, PH Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50399208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50399208&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 24758044 163348232 CHEMBL2180528 ZINC95577961 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971323 CCN(C1CCN(CC[C@H](C2CCC(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H44F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-6,9-10,20-22,24,28,30-31H,4,7-8,11-19H2,1-3H3/t24?,30?,31-/m1/s1 AESXAJXKMUNYJP-ZWFIUULVSA-N 50398336 CHEMBL2178577 C-C chemokine receptor type 5 0.17 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398336&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71451877 163347360 CHEMBL2178577 ZINC95579837 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971324 CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1 SCXSQUUTGCWHFU-WJOKGBTCSA-N 50185666 (R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide::CHEMBL212689 C-C chemokine receptor type 5 0.32 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185666&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16007088 104069844 CHEMBL212689 ZINC36126689 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971325 CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1 ZMCJFJZOSKEMOM-DNKZPPIMSA-N 50339033 5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine::CHEMBL1688243 C-C chemokine receptor type 5 3.1 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50339033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50339033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49871007 125089135 CHEMBL1688243 ZINC43171152 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971326 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971328 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971329 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1 CNPVJJQCETWNEU-CYFREDJKSA-N 50145685 (4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL82301 C-C chemokine receptor type 5 0.45 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009355 104034374 CHEMBL82301 807 ZINC22010579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971331 CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1 YEQJVHQCUDMXFG-FHZYATBESA-N 50398338 CHEMBL1628706 C-C chemokine receptor type 5 66 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398338&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5311123 163347362 CHEMBL1628706 ZINC03948480 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971333 CC1(C)CN(CC\C=C2/c3cccnc3COc3ccc(cc23)C(O)=O)C[C@@H]([C@H]1O)c1ccc(Cl)cc1 InChI=1S/C30H31ClN2O4/c1-30(2)18-33(16-25(28(30)34)19-7-10-21(31)11-8-19)14-4-6-22-23-5-3-13-32-26(23)17-37-27-12-9-20(29(35)36)15-24(22)27/h3,5-13,15,25,28,34H,4,14,16-18H2,1-2H3,(H,35,36)/b22-6+/t25-,28-/m1/s1 QKMUXXQVPOBBPT-VQMMKQGYSA-N 50398339 CHEMBL2178569 C-C chemokine receptor type 5 1 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398339&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71462570 163347363 CHEMBL2178569 ZINC95572273 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971334 CO\N=C(/c1ccc(Br)cc1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C InChI=1S/C22H26BrN3O3/c1-15-9-12-26(28)16(2)19(15)21(27)25-13-10-22(3,11-14-25)20(24-29-4)17-5-7-18(23)8-6-17/h5-9,12H,10-11,13-14H2,1-4H3/b24-20+ JATBGQRLRFLJOJ-HIXSDJFHSA-N 50398340 CHEMBL2178576 C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50398340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50398340&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71451876 163347364 CHEMBL2178576 ZINC95572705 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50971335 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088023 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 25 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088024 CCN(CCc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C33H44Cl2N4O3/c1-3-37(21-12-26-8-10-29(34)11-9-26)32(41)27-13-19-36(20-14-27)17-5-18-39(31-7-4-6-30(35)24-31)33(42)28-15-22-38(23-16-28)25(2)40/h4,6-11,24,27-28H,3,5,12-23H2,1-2H3 MKUVVYNGAHEZLC-UHFFFAOYSA-N 50445429 CHEMBL3104693 C-C chemokine receptor type 5 126 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445429&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76317388 194943325 CHEMBL3104693 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088025 CCN(CCc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C33H44ClFN4O3/c1-3-37(21-12-26-8-10-30(35)11-9-26)32(41)27-13-19-36(20-14-27)17-5-18-39(31-7-4-6-29(34)24-31)33(42)28-15-22-38(23-16-28)25(2)40/h4,6-11,24,27-28H,3,5,12-23H2,1-2H3 JXQVGTZZOJURFI-UHFFFAOYSA-N 50445430 CHEMBL3104692 C-C chemokine receptor type 5 152 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445430&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76310165 194943326 CHEMBL3104692 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088026 CCN(CCc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C33H45ClN4O3/c1-3-36(22-13-27-9-5-4-6-10-27)32(40)28-14-20-35(21-15-28)18-8-19-38(31-12-7-11-30(34)25-31)33(41)29-16-23-37(24-17-29)26(2)39/h4-7,9-12,25,28-29H,3,8,13-24H2,1-2H3 FDXBJSOHXGUIGJ-UHFFFAOYSA-N 50445431 CHEMBL3104691 C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445431&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331307 194943327 CHEMBL3104691 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088027 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCCc1ccc(Cl)cc1)c1cccc(Cl)c1 InChI=1S/C31H40Cl2N4O3/c1-23(38)36-20-13-26(14-21-36)31(40)37(29-5-2-4-28(33)22-29)17-3-16-35-18-11-25(12-19-35)30(39)34-15-10-24-6-8-27(32)9-7-24/h2,4-9,22,25-26H,3,10-21H2,1H3,(H,34,39) YRUNMNHKXYFBTO-UHFFFAOYSA-N 50445432 CHEMBL3104690 C-C chemokine receptor type 5 87 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445432&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76310164 194943328 CHEMBL3104690 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088028 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1 InChI=1S/C31H40ClFN4O3/c1-23(38)36-20-13-26(14-21-36)31(40)37(29-5-2-4-27(32)22-29)17-3-16-35-18-11-25(12-19-35)30(39)34-15-10-24-6-8-28(33)9-7-24/h2,4-9,22,25-26H,3,10-21H2,1H3,(H,34,39) BJHSCIVKNGWOHW-UHFFFAOYSA-N 50445433 CHEMBL3104689 C-C chemokine receptor type 5 197 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445433&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76335572 194943329 CHEMBL3104689 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088029 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCCc1ccccc1)c1cccc(Cl)c1 InChI=1S/C31H41ClN4O3/c1-24(37)35-21-14-27(15-22-35)31(39)36(29-10-5-9-28(32)23-29)18-6-17-34-19-12-26(13-20-34)30(38)33-16-11-25-7-3-2-4-8-25/h2-5,7-10,23,26-27H,6,11-22H2,1H3,(H,33,38) QXYFMNQOXMUIFW-UHFFFAOYSA-N 50445434 CHEMBL3104688 C-C chemokine receptor type 5 76 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445434&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331275 194943330 CHEMBL3104688 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088030 CCN(C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1)c1ccccc1 InChI=1S/C31H41ClN4O3/c1-3-35(28-10-5-4-6-11-28)30(38)25-13-19-33(20-14-25)17-8-18-36(29-12-7-9-27(32)23-29)31(39)26-15-21-34(22-16-26)24(2)37/h4-7,9-12,23,25-26H,3,8,13-22H2,1-2H3 PZASBFFWOJWAEO-UHFFFAOYSA-N 50445435 CHEMBL3104687 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445435&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76321110 194943331 CHEMBL3104687 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088031 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)Nc1ccccc1)c1cccc(Cl)c1 InChI=1S/C29H37ClN4O3/c1-22(35)33-19-13-24(14-20-33)29(37)34(27-10-5-7-25(30)21-27)16-6-15-32-17-11-23(12-18-32)28(36)31-26-8-3-2-4-9-26/h2-5,7-10,21,23-24H,6,11-20H2,1H3,(H,31,36) JEPSAKVMZWQICU-UHFFFAOYSA-N 50445436 CHEMBL3104686 C-C chemokine receptor type 5 >1000 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445436&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331246 194943332 CHEMBL3104686 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088032 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCc1ccc(cc1)C#N)c1cccc(Cl)c1 InChI=1S/C31H38ClN5O3/c1-23(38)36-18-12-27(13-19-36)31(40)37(29-5-2-4-28(32)20-29)15-3-14-35-16-10-26(11-17-35)30(39)34-22-25-8-6-24(21-33)7-9-25/h2,4-9,20,26-27H,3,10-19,22H2,1H3,(H,34,39) HQPNHZUFLYUILD-UHFFFAOYSA-N 50445437 CHEMBL3104685 C-C chemokine receptor type 5 75 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445437&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331339 194943333 CHEMBL3104685 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088033 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCc1ccc(Cl)cc1)c1cccc(Cl)c1 InChI=1S/C30H38Cl2N4O3/c1-22(37)35-18-12-25(13-19-35)30(39)36(28-5-2-4-27(32)20-28)15-3-14-34-16-10-24(11-17-34)29(38)33-21-23-6-8-26(31)9-7-23/h2,4-9,20,24-25H,3,10-19,21H2,1H3,(H,33,38) FIOVRQYTOCQIIS-UHFFFAOYSA-N 50445438 CHEMBL3104684 C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445438&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331278 194943334 CHEMBL3104684 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088034 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1cccc(Cl)c1 InChI=1S/C30H38ClFN4O3/c1-22(37)35-18-12-25(13-19-35)30(39)36(28-5-2-4-26(31)20-28)15-3-14-34-16-10-24(11-17-34)29(38)33-21-23-6-8-27(32)9-7-23/h2,4-9,20,24-25H,3,10-19,21H2,1H3,(H,33,38) PZUNHGZREVJANF-UHFFFAOYSA-N 50445439 CHEMBL3104683 C-C chemokine receptor type 5 35 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445439&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331276 194943335 CHEMBL3104683 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088035 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCc1ccccc1)c1cccc(Cl)c1 InChI=1S/C30H39ClN4O3/c1-23(36)34-19-13-26(14-20-34)30(38)35(28-10-5-9-27(31)21-28)16-6-15-33-17-11-25(12-18-33)29(37)32-22-24-7-3-2-4-8-24/h2-5,7-10,21,25-26H,6,11-20,22H2,1H3,(H,32,37) DBOUOFYQUOJCDW-UHFFFAOYSA-N 50445440 CHEMBL3104682 C-C chemokine receptor type 5 26 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445440&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331274 194943336 CHEMBL3104682 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088036 CN(Cc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C31H41ClN4O3/c1-24(37)35-20-14-27(15-21-35)31(39)36(29-11-6-10-28(32)22-29)17-7-16-34-18-12-26(13-19-34)30(38)33(2)23-25-8-4-3-5-9-25/h3-6,8-11,22,26-27H,7,12-21,23H2,1-2H3 QMNDMZJDKCKYRN-UHFFFAOYSA-N 50445441 CHEMBL3104681 C-C chemokine receptor type 5 64 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445441&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331304 194943337 CHEMBL3104681 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088037 CCN(Cc1ccc(cc1)C#N)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C33H42ClN5O3/c1-3-37(24-27-10-8-26(23-35)9-11-27)32(41)28-12-18-36(19-13-28)16-5-17-39(31-7-4-6-30(34)22-31)33(42)29-14-20-38(21-15-29)25(2)40/h4,6-11,22,28-29H,3,5,12-21,24H2,1-2H3 KGPSWGYQYVBPIP-UHFFFAOYSA-N 50445442 CHEMBL3104680 C-C chemokine receptor type 5 473 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445442&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331308 194943338 CHEMBL3104680 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088038 CCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C32H42Cl2N4O3/c1-3-36(23-25-8-10-28(33)11-9-25)31(40)26-12-18-35(19-13-26)16-5-17-38(30-7-4-6-29(34)22-30)32(41)27-14-20-37(21-15-27)24(2)39/h4,6-11,22,26-27H,3,5,12-21,23H2,1-2H3 IAXNTVHBJQKCBB-UHFFFAOYSA-N 50445443 CHEMBL3104679 C-C chemokine receptor type 5 94 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445443&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331306 194943339 CHEMBL3104679 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088039 CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C32H42ClFN4O3/c1-3-36(23-25-8-10-29(34)11-9-25)31(40)26-12-18-35(19-13-26)16-5-17-38(30-7-4-6-28(33)22-30)32(41)27-14-20-37(21-15-27)24(2)39/h4,6-11,22,26-27H,3,5,12-21,23H2,1-2H3 WBNHEXZVUGRMTR-UHFFFAOYSA-N 50445444 CHEMBL3104678 C-C chemokine receptor type 5 320 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445444&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331277 194943340 CHEMBL3104678 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088040 CCN(Cc1ccc(C)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C33H45ClN4O3/c1-4-36(24-27-11-9-25(2)10-12-27)32(40)28-13-19-35(20-14-28)17-6-18-38(31-8-5-7-30(34)23-31)33(41)29-15-21-37(22-16-29)26(3)39/h5,7-12,23,28-29H,4,6,13-22,24H2,1-3H3 YCCWKDGHGCQGDJ-UHFFFAOYSA-N 50445445 CHEMBL3104677 C-C chemokine receptor type 5 202 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445445&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331340 194943341 CHEMBL3104677 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088041 CCN(Cc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1 InChI=1S/C32H43ClN4O3/c1-3-35(24-26-9-5-4-6-10-26)31(39)27-13-19-34(20-14-27)17-8-18-37(30-12-7-11-29(33)23-30)32(40)28-15-21-36(22-16-28)25(2)38/h4-7,9-12,23,27-28H,3,8,13-22,24H2,1-2H3 HDYHDOVZUHZOKX-UHFFFAOYSA-N 50445446 CHEMBL3104695 C-C chemokine receptor type 5 525 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445446&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 57331305 194943342 CHEMBL3104695 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088042 CCN(C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccccc1 InChI=1S/C32H43ClN4O3/c1-3-36(31(39)23-26-9-5-4-6-10-26)29-15-19-34(20-16-29)17-8-18-37(30-12-7-11-28(33)24-30)32(40)27-13-21-35(22-14-27)25(2)38/h4-7,9-12,24,27,29H,3,8,13-23H2,1-2H3 YWLUQDJNLFQVNJ-UHFFFAOYSA-N 50445447 CHEMBL3104694 C-C chemokine receptor type 5 252 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445447&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76313867 194943343 CHEMBL3104694 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51088043 CCN(C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1)C(=O)Cc1ccccc1 InChI=1S/C32H43ClN4O3/c1-3-36(31(39)23-26-9-5-4-6-10-26)29-15-19-34(20-16-29)17-8-18-37(30-12-7-11-28(33)24-30)32(40)27-13-21-35(22-14-27)25(2)38/h4-7,9-12,24,27,29H,3,8,13-23H2,1-2H3 YWLUQDJNLFQVNJ-UHFFFAOYSA-N 50445447 CHEMBL3104694 C-C chemokine receptor type 5 7.0 ChEMBL 10.1016/j.ejmech.2013.11.013 10.7270/Q29G5P9F 24316669 Hu, S; Gu, Q; Wang, Z; Weng, Z; Cai, Y; Dong, X; Hu, Y; Liu, T; Xie, X Zhejiang University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445447&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76313867 194943343 CHEMBL3104694 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089531 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 0.370000 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089532 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 0.430000 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089533 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 1.3 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089534 Cc1nnc(CCCCCCCCCCn2cc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCNC(=O)OC(C)(C)C)nn2)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C63H96F2N10O9/c1-48-69-71-58(75(48)56-43-54-24-25-55(44-56)74(54)34-28-57(50-17-12-11-13-18-50)68-60(77)52-26-29-63(64,65)30-27-52)19-14-9-7-5-6-8-10-15-33-73-45-53(70-72-73)47-83-42-40-81-38-36-79-35-37-80-39-41-82-46-49-20-22-51(23-21-49)59(76)66-31-16-32-67-61(78)84-62(2,3)4/h11-13,17-18,20-23,45,52,54-57H,5-10,14-16,19,24-44,46-47H2,1-4H3,(H,66,76)(H,67,78)(H,68,77)/t54?,55?,56?,57-/m0/s1 RBNVMUMIRAOXBX-MRLYIIMESA-N 50446231 CHEMBL3109172 C-C chemokine receptor type 5 3.0 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446231&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76321206 194944127 CHEMBL3109172 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089535 Cc1nnc(CCCCCCCCCCn2cc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)N3CCC3=O)nn2)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C58H83F2N9O8/c1-44-62-64-54(69(44)52-39-50-20-21-51(40-52)67(50)29-24-53(46-13-9-8-10-14-46)61-56(71)47-22-26-58(59,60)27-23-47)15-11-6-4-2-3-5-7-12-28-66-41-49(63-65-66)43-77-38-36-75-34-32-73-31-33-74-35-37-76-42-45-16-18-48(19-17-45)57(72)68-30-25-55(68)70/h8-10,13-14,16-19,41,47,50-53H,2-7,11-12,15,20-40,42-43H2,1H3,(H,61,71)/t50?,51?,52?,53-/m0/s1 JAZHFXVVJSFYRR-GBEGLDLESA-N 50446232 CHEMBL3109173 C-C chemokine receptor type 5 2.6 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446232&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76324825 194944128 CHEMBL3109173 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089536 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCn1cc(COCCOCCOCCOCCOCc2ccc(cc2)C(=O)N2CCC2=O)nn1)c1ccccc1 InChI=1S/C55H81N9O8/c1-42(2)54-59-57-43(3)64(54)50-37-48-22-23-49(38-50)62(48)27-24-51(45-15-11-10-12-16-45)56-52(65)17-13-8-6-4-5-7-9-14-26-61-39-47(58-60-61)41-72-36-34-70-32-30-68-29-31-69-33-35-71-40-44-18-20-46(21-19-44)55(67)63-28-25-53(63)66/h10-12,15-16,18-21,39,42,48-51H,4-9,13-14,17,22-38,40-41H2,1-3H3,(H,56,65)/t48?,49?,50?,51-/m0/s1 NJYLYUFHIMEXIZ-SNOAMIKQSA-N 50446233 CHEMBL3109174 C-C chemokine receptor type 5 27 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446233&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76317476 194944129 CHEMBL3109174 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089537 Cc1nnc(CCCCCCCCCCN=[N+]=[N-])n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C36H54F2N8O/c1-27-42-43-34(15-11-6-4-2-3-5-7-12-23-40-44-39)46(27)32-25-30-16-17-31(26-32)45(30)24-20-33(28-13-9-8-10-14-28)41-35(47)29-18-21-36(37,38)22-19-29/h8-10,13-14,29-33H,2-7,11-12,15-26H2,1H3,(H,41,47)/t30?,31?,32?,33-/m0/s1 YGWBPRKJJOXDTN-FPOPRHALSA-N 50446234 CHEMBL3109175 C-C chemokine receptor type 5 0.960000 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446234&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76335673 194944130 CHEMBL3109175 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089538 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)COCCOCCOCCN=[N+]=[N-])c1ccccc1 InChI=1S/C30H46N8O4/c1-22(2)30-35-34-23(3)38(30)27-19-25-9-10-26(20-27)37(25)13-11-28(24-7-5-4-6-8-24)33-29(39)21-42-18-17-41-16-15-40-14-12-32-36-31/h4-8,22,25-28H,9-21H2,1-3H3,(H,33,39)/t25?,26?,27?,28-/m0/s1 IJVTWPWKUNXIPI-OYGGZRDRSA-N 50446235 CHEMBL3109176 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446235&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76317477 194944131 CHEMBL3109176 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089539 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCN=[N+]=[N-])c1ccccc1 InChI=1S/C33H52N8O/c1-25(2)33-38-37-26(3)41(33)30-23-28-18-19-29(24-30)40(28)22-20-31(27-15-11-10-12-16-27)36-32(42)17-13-8-6-4-5-7-9-14-21-35-39-34/h10-12,15-16,25,28-31H,4-9,13-14,17-24H2,1-3H3,(H,36,42)/t28?,29?,30?,31-/m0/s1 GDLSLGZDKTYSCE-AAKDHKQZSA-N 50446236 CHEMBL3109177 C-C chemokine receptor type 5 360 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50446236&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 76324826 194944132 CHEMBL3109177 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51089540 CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1 GSNHKUDZZFZSJB-QYOOZWMWSA-N 50334986 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide::4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide::CHEMBL1201187::MARAVIROC::Selzentry::UK-427857 C-C chemokine receptor type 5 1.6 ChEMBL 10.1021/ml400370w 10.7270/Q2RB762X 24563723 Asano, S; Gavrilyuk, J; Burton, DR; Barbas, CF The Scripps Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3002977 125085088 CHEMBL1201187 803 ZINC03817234 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080112 CC(C)N1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 InChI=1S/C29H40ClN5O2/c1-19(2)34-18-25(23-9-7-6-8-10-23)35(29(34)37)24-12-15-33(16-13-24)21(4)11-14-31-28(36)27-20(3)17-26(30)32-22(27)5/h6-10,17,19,21,24-25H,11-16,18H2,1-5H3,(H,31,36)/t21?,25-/m0/s1 LTECMHSUEOHWDT-QBGQUKIHSA-N 50441686 CHEMBL2435904 C-C chemokine receptor type 5 11 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441686&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458213 175454003 CHEMBL2435904 ZINC96285336 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080113 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(Br)c1 InChI=1S/C31H43BrN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) ZRBNRFQNYULVHS-UHFFFAOYSA-N 50441687 CHEMBL2435891 C-C chemokine receptor type 5 10 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441687&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714321 175454004 CHEMBL2435891 ZINC96285340 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080114 CNC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C35H42N4O3/c1-36-34(40)28-14-18-32(19-15-28)42-31-16-12-26(13-17-31)24-37-22-20-30(21-23-37)39-33(27-8-4-2-5-9-27)25-38(35(39)41)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,29-30,33H,3,6-7,10-11,20-25H2,1H3,(H,36,40)/t33-/m0/s1 UYTYPQVLRVEZRK-XIFFEERXSA-N 50441688 CHEMBL2435878 C-C chemokine receptor type 5 9.6 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441688&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346388 175454005 CHEMBL2435878 ZINC96285341 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080115 C[C@@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28-/m0/s1 FPBBMOPREIDYGA-FIPFOOKPSA-N 50441689 CHEMBL2435886 C-C chemokine receptor type 5 9.6 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441689&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714079 175454006 CHEMBL2435886 ZINC96285342 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080116 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cccnc2)C1=O)c1ccccc1 InChI=1S/C32H39ClN6O2/c1-22-18-29(33)36-24(3)30(22)31(40)35-15-11-23(2)37-16-12-27(13-17-37)39-28(26-9-5-4-6-10-26)21-38(32(39)41)20-25-8-7-14-34-19-25/h4-10,14,18-19,23,27-28H,11-13,15-17,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1 BLLNKFHFWKLHQV-WOKNPCPGSA-N 50441690 CHEMBL2435863 C-C chemokine receptor type 5 9.3 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441690&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73347894 175454007 CHEMBL2435863 ZINC96285344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080117 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccccc2)C1=O)c1ccccc1 InChI=1S/C33H40ClN5O2/c1-23-20-30(34)36-25(3)31(23)32(40)35-17-14-24(2)37-18-15-28(16-19-37)39-29(27-12-8-5-9-13-27)22-38(33(39)41)21-26-10-6-4-7-11-26/h4-13,20,24,28-29H,14-19,21-22H2,1-3H3,(H,35,40)/t24?,29-/m0/s1 QQPGVUMKWQYOEK-PEFOLFAWSA-N 50441691 CHEMBL2435860 C-C chemokine receptor type 5 9.0 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441691&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711742 175454008 CHEMBL2435860 ZINC96285346 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080118 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C31H42ClN5O3/c1-21-19-28(32)34-23(3)29(21)30(38)33-14-9-22(2)35-15-10-26(11-16-35)37-27(24-7-5-4-6-8-24)20-36(31(37)39)25-12-17-40-18-13-25/h4-8,19,22,25-27H,9-18,20H2,1-3H3,(H,33,38)/t22?,27-/m0/s1 PXIOXDVBYCVQHK-ZUILJJEPSA-N 50441692 CHEMBL2435908 C-C chemokine receptor type 5 8.6 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441692&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458159 175454009 CHEMBL2435908 ZINC96285348 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080119 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cnccc2C)C1=O)c1ccccc1 InChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/t24?,29-/m0/s1 GLPOBUHYQIRJAI-PEFOLFAWSA-N 50441693 CHEMBL2435862 C-C chemokine receptor type 5 8.0 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441693&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711956 175454010 CHEMBL2435862 ZINC96285350 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080120 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(CC2CCCCC2)C1=O)c1ccccc1 InChI=1S/C33H46ClN5O2/c1-23-20-30(34)36-25(3)31(23)32(40)35-17-14-24(2)37-18-15-28(16-19-37)39-29(27-12-8-5-9-13-27)22-38(33(39)41)21-26-10-6-4-7-11-26/h5,8-9,12-13,20,24,26,28-29H,4,6-7,10-11,14-19,21-22H2,1-3H3,(H,35,40)/t24?,29-/m0/s1 GLZGIZYROAGFSY-PEFOLFAWSA-N 50441694 CHEMBL2435859 C-C chemokine receptor type 5 7.7 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441694&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711741 175454011 CHEMBL2435859 ZINC96285352 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080121 CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C36H44N4O3/c1-37(2)35(41)29-15-19-33(20-16-29)43-32-17-13-27(14-18-32)25-38-23-21-31(22-24-38)40-34(28-9-5-3-6-10-28)26-39(36(40)42)30-11-7-4-8-12-30/h3,5-6,9-10,13-20,30-31,34H,4,7-8,11-12,21-26H2,1-2H3/t34-/m0/s1 FYFQDKSOZLVEKB-UMSFTDKQSA-N 50441695 CHEMBL2435879 C-C chemokine receptor type 5 7.5 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441695&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346389 175454012 CHEMBL2435879 ZINC96285353 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080122 CCCN1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 InChI=1S/C29H40ClN5O2/c1-5-15-34-19-25(23-9-7-6-8-10-23)35(29(34)37)24-12-16-33(17-13-24)21(3)11-14-31-28(36)27-20(2)18-26(30)32-22(27)4/h6-10,18,21,24-25H,5,11-17,19H2,1-4H3,(H,31,36)/t21?,25-/m0/s1 DAQIALJXQJYJBM-QBGQUKIHSA-N 50441696 CHEMBL2435903 C-C chemokine receptor type 5 7.5 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441696&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711507 175454013 CHEMBL2435903 ZINC96285355 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080123 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cc(C)cc(F)c1 InChI=1S/C32H45FN6O2/c1-21-16-25(18-26(33)17-21)29-19-38(27-8-6-5-7-9-27)32(41)39(29)28-11-14-37(15-12-28)22(2)10-13-34-31(40)30-23(3)35-20-36-24(30)4/h16-18,20,22,27-29H,5-15,19H2,1-4H3,(H,34,40) RABMHVAUKSATIA-UHFFFAOYSA-N 50441697 CHEMBL2435898 C-C chemokine receptor type 5 7.1 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441697&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711278 175454014 CHEMBL2435898 ZINC96285359 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080124 NC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C34H40N4O3/c35-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-36-21-19-29(20-22-36)38-32(26-7-3-1-4-8-26)24-37(34(38)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H2,35,39)/t32-/m0/s1 YMWWVNRTXMJCON-YTTGMZPUSA-N 50441698 CHEMBL2435880 C-C chemokine receptor type 5 6.9 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441698&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56647023 175454015 CHEMBL2435880 ZINC96285360 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080125 OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)cn2)cc1 InChI=1S/C32H36N4O5/c37-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-33-30)21-34-16-12-27(13-17-34)36-29(24-4-2-1-3-5-24)22-35(32(36)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H,37,38)/t29-/m0/s1 OPKQGGZAZZCIJB-LJAQVGFWSA-N 50441699 CHEMBL2435850 C-C chemokine receptor type 5 6.6 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441699&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16041224 175454016 CHEMBL2435850 ZINC59634822 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080126 OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C34H39N3O4/c38-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-35-21-19-29(20-22-35)37-32(26-7-3-1-4-8-26)24-36(34(37)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H,38,39)/t32-/m0/s1 QKHYIMUJIVRLOX-YTTGMZPUSA-N 50441700 CHEMBL2435881 C-C chemokine receptor type 5 6.4 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441700&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56647076 175454017 CHEMBL2435881 ZINC96285361 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080127 CCCN1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 InChI=1S/C29H40ClN5O2/c1-5-15-34-19-25(23-9-7-6-8-10-23)35(29(34)37)24-12-16-33(17-13-24)21(3)11-14-31-28(36)27-20(2)18-26(30)32-22(27)4/h6-10,18,21,24-25H,5,11-17,19H2,1-4H3,(H,31,36)/t21?,25-/m0/s1 DAQIALJXQJYJBM-QBGQUKIHSA-N 50441696 CHEMBL2435903 C-C chemokine receptor type 5 6.4 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441696&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711507 175454013 CHEMBL2435903 ZINC96285355 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080128 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C31H42ClN5O3/c1-21-19-28(32)34-23(3)29(21)30(38)33-14-9-22(2)35-15-10-26(11-16-35)37-27(24-7-5-4-6-8-24)20-36(31(37)39)25-12-17-40-18-13-25/h4-8,19,22,25-27H,9-18,20H2,1-3H3,(H,33,38)/t22?,27-/m0/s1 PXIOXDVBYCVQHK-ZUILJJEPSA-N 50441692 CHEMBL2435908 C-C chemokine receptor type 5 6.3 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441692&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458159 175454009 CHEMBL2435908 ZINC96285348 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080129 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(C)c1 InChI=1S/C32H46N6O2/c1-22-9-8-10-26(19-22)29-20-37(27-11-6-5-7-12-27)32(40)38(29)28-14-17-36(18-15-28)23(2)13-16-33-31(39)30-24(3)34-21-35-25(30)4/h8-10,19,21,23,27-29H,5-7,11-18,20H2,1-4H3,(H,33,39) WZRAMHXCXACTHM-UHFFFAOYSA-N 50441701 CHEMBL2435890 C-C chemokine receptor type 5 6.0 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441701&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714320 175454018 CHEMBL2435890 ZINC96285365 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080130 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccccn2)C1=O)c1ccccc1 InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-12-23(2)37-17-13-27(14-18-37)39-28(25-9-5-4-6-10-25)21-38(32(39)41)20-26-11-7-8-15-34-26/h4-11,15,19,23,27-28H,12-14,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1 VLCNIWNAFVRZRX-WOKNPCPGSA-N 50441702 CHEMBL2435861 C-C chemokine receptor type 5 5.9 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441702&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711955 175454019 CHEMBL2435861 ZINC96285367 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080131 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C33H46N6O2/c1-24-30(25(2)35-23-34-24)31(40)36-20-16-33(3,17-21-36)37-18-14-28(15-19-37)39-29(26-10-6-4-7-11-26)22-38(32(39)41)27-12-8-5-9-13-27/h4,6-7,10-11,23,27-29H,5,8-9,12-22H2,1-3H3/t29-/m0/s1 BYSYEMPZKZYBNW-LJAQVGFWSA-N 50441703 CHEMBL2435847 C-C chemokine receptor type 5 5.8 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441703&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25024699 175454020 CHEMBL2435847 ZINC96285368 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080132 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(Cl)c1 InChI=1S/C31H43ClN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) VXUHJSADHJEBBJ-UHFFFAOYSA-N 50441704 CHEMBL2435892 C-C chemokine receptor type 5 5.8 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441704&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711047 175454021 CHEMBL2435892 ZINC96285372 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080133 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccncc2)C1=O)c1ccccc1 InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-9-23(2)37-17-12-27(13-18-37)39-28(26-7-5-4-6-8-26)21-38(32(39)41)20-25-10-14-34-15-11-25/h4-8,10-11,14-15,19,23,27-28H,9,12-13,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1 NKOHPZAPXOVEEK-WOKNPCPGSA-N 50441705 CHEMBL2435864 C-C chemokine receptor type 5 5.7 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441705&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711958 175454022 CHEMBL2435864 ZINC96285374 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080134 CC(C)N1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 InChI=1S/C29H40ClN5O2/c1-19(2)34-18-25(23-9-7-6-8-10-23)35(29(34)37)24-12-15-33(16-13-24)21(4)11-14-31-28(36)27-20(3)17-26(30)32-22(27)5/h6-10,17,19,21,24-25H,11-16,18H2,1-5H3,(H,31,36)/t21?,25-/m0/s1 LTECMHSUEOHWDT-QBGQUKIHSA-N 50441686 CHEMBL2435904 C-C chemokine receptor type 5 5.3 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441686&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458213 175454003 CHEMBL2435904 ZINC96285336 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080135 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(Br)c1 InChI=1S/C31H43BrN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) ZRBNRFQNYULVHS-UHFFFAOYSA-N 50441687 CHEMBL2435891 C-C chemokine receptor type 5 5.1 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441687&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714321 175454004 CHEMBL2435891 ZINC96285340 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080136 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cc(C)cc(C)c1 InChI=1S/C33H48N6O2/c1-22-17-23(2)19-27(18-22)30-20-38(28-9-7-6-8-10-28)33(41)39(30)29-12-15-37(16-13-29)24(3)11-14-34-32(40)31-25(4)35-21-36-26(31)5/h17-19,21,24,28-30H,6-16,20H2,1-5H3,(H,34,40) FRBJEUDAEXXYFS-UHFFFAOYSA-N 50441706 CHEMBL2435897 C-C chemokine receptor type 5 4.7 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441706&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711277 175454023 CHEMBL2435897 ZINC96285378 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080137 C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1 BJXRNPXUTJVEQG-DWACAAAGSA-N 50441707 CHEMBL2435883 C-C chemokine receptor type 5 4.4 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441707&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714076 175454024 CHEMBL2435883 ZINC96285379 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080138 Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C34H46ClN5O2/c1-24-22-30(35)36-25(2)31(24)32(41)37-20-16-34(3,17-21-37)38-18-14-28(15-19-38)40-29(26-10-6-4-7-11-26)23-39(33(40)42)27-12-8-5-9-13-27/h4,6-7,10-11,22,27-29H,5,8-9,12-21,23H2,1-3H3/t29-/m0/s1 DVECZYIFQCYTKG-LJAQVGFWSA-N 50441708 CHEMBL2435848 C-C chemokine receptor type 5 4.2 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441708&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712598 175454025 CHEMBL2435848 ZINC96285380 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080139 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C1=O)C(C)(C)C)c1ccccc1 InChI=1S/C30H42ClN5O2/c1-20-18-26(31)33-22(3)27(20)28(37)32-15-12-21(2)34-16-13-24(14-17-34)36-25(23-10-8-7-9-11-23)19-35(29(36)38)30(4,5)6/h7-11,18,21,24-25H,12-17,19H2,1-6H3,(H,32,37)/t21?,25-/m0/s1 COOGUPBOWLTOIX-QBGQUKIHSA-N 50441709 CHEMBL2435905 C-C chemokine receptor type 5 3.8 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441709&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711508 175454026 CHEMBL2435905 ZINC96285382 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080140 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 InChI=1S/C34H40ClN5O4/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43)/t23?,29-/m0/s1 KDKOAYRCXAQUFY-IZCXSWDTSA-N 50441710 CHEMBL2435866 C-C chemokine receptor type 5 3.6 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441710&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458245 175454027 CHEMBL2435866 ZINC96285384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080141 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C1=O)C(C)(C)C)c1ccccc1 InChI=1S/C30H42ClN5O2/c1-20-18-26(31)33-22(3)27(20)28(37)32-15-12-21(2)34-16-13-24(14-17-34)36-25(23-10-8-7-9-11-23)19-35(29(36)38)30(4,5)6/h7-11,18,21,24-25H,12-17,19H2,1-6H3,(H,32,37)/t21?,25-/m0/s1 COOGUPBOWLTOIX-QBGQUKIHSA-N 50441709 CHEMBL2435905 C-C chemokine receptor type 5 3.6 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441709&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711508 175454026 CHEMBL2435905 ZINC96285382 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080142 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cccnc2)C1=O)c1ccccc1 InChI=1S/C32H39ClN6O2/c1-22-18-29(33)36-24(3)30(22)31(40)35-15-11-23(2)37-16-12-27(13-17-37)39-28(26-9-5-4-6-10-26)21-38(32(39)41)20-25-8-7-14-34-19-25/h4-10,14,18-19,23,27-28H,11-13,15-17,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1 BLLNKFHFWKLHQV-WOKNPCPGSA-N 50441690 CHEMBL2435863 C-C chemokine receptor type 5 3.4 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441690&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73347894 175454007 CHEMBL2435863 ZINC96285344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080143 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccccn2)C1=O)c1ccccc1 InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-12-23(2)37-17-13-27(14-18-37)39-28(25-9-5-4-6-10-25)21-38(32(39)41)20-26-11-7-8-15-34-26/h4-11,15,19,23,27-28H,12-14,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1 VLCNIWNAFVRZRX-WOKNPCPGSA-N 50441702 CHEMBL2435861 C-C chemokine receptor type 5 2.9 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441702&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711955 175454019 CHEMBL2435861 ZINC96285367 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080144 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(Cl)c1 InChI=1S/C31H43ClN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) VXUHJSADHJEBBJ-UHFFFAOYSA-N 50441704 CHEMBL2435892 C-C chemokine receptor type 5 2.5 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441704&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711047 175454021 CHEMBL2435892 ZINC96285372 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080145 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1 InChI=1S/C30H42ClN5O2S/c1-20-17-27(31)33-22(3)28(20)29(37)32-13-9-21(2)34-14-10-25(11-15-34)36-26(23-12-16-39-19-23)18-35(30(36)38)24-7-5-4-6-8-24/h12,16-17,19,21,24-26H,4-11,13-15,18H2,1-3H3,(H,32,37) RQYNLNIHIFFLTK-UHFFFAOYSA-N 50441711 CHEMBL2435912 C-C chemokine receptor type 5 2.4 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441711&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458247 175454028 CHEMBL2435912 ZINC96285388 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080146 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC2)C1=O)c1ccccc1 InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1 BUQGFMHFSZHCHF-UQTORGHUSA-N 50441712 CHEMBL2435906 C-C chemokine receptor type 5 2.3 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441712&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458103 175454029 CHEMBL2435906 ZINC96285390 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080147 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(CC2CCCCC2)C1=O)c1ccccc1 InChI=1S/C33H46ClN5O2/c1-23-20-30(34)36-25(3)31(23)32(40)35-17-14-24(2)37-18-15-28(16-19-37)39-29(27-12-8-5-9-13-27)22-38(33(39)41)21-26-10-6-4-7-11-26/h5,8-9,12-13,20,24,26,28-29H,4,6-7,10-11,14-19,21-22H2,1-3H3,(H,35,40)/t24?,29-/m0/s1 GLZGIZYROAGFSY-PEFOLFAWSA-N 50441694 CHEMBL2435859 C-C chemokine receptor type 5 1.8 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441694&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711741 175454011 CHEMBL2435859 ZINC96285352 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080148 Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C33H46N6O2/c1-24-30(25(2)35-23-34-24)31(40)36-20-16-33(3,17-21-36)37-18-14-28(15-19-37)39-29(26-10-6-4-7-11-26)22-38(32(39)41)27-12-8-5-9-13-27/h4,6-7,10-11,23,27-29H,5,8-9,12-22H2,1-3H3/t29-/m0/s1 BYSYEMPZKZYBNW-LJAQVGFWSA-N 50441703 CHEMBL2435847 C-C chemokine receptor type 5 1.7 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441703&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25024699 175454020 CHEMBL2435847 ZINC96285368 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080150 C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m1/s1 BJXRNPXUTJVEQG-SKCUWOTOSA-N 50441714 CHEMBL2435882 C-C chemokine receptor type 5 >16000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441714&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72713861 175454031 CHEMBL2435882 ZINC96285392 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080151 Cc1ccccc1N1CCC(CN2CCC(CC2)N2[C@@H](CN(C3CCCCC3)C2=O)c2ccccc2)CC1 InChI=1S/C33H46N4O/c1-26-10-8-9-15-31(26)35-22-16-27(17-23-35)24-34-20-18-30(19-21-34)37-32(28-11-4-2-5-12-28)25-36(33(37)38)29-13-6-3-7-14-29/h2,4-5,8-12,15,27,29-30,32H,3,6-7,13-14,16-25H2,1H3/t32-/m0/s1 LNIHUJWMYNLPMN-YTTGMZPUSA-N 50441715 CHEMBL2435875 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441715&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712375 175454032 CHEMBL2435875 ZINC96285393 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080180 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cnccc2C)C1=O)c1ccccc1 InChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/t24?,29-/m0/s1 GLPOBUHYQIRJAI-PEFOLFAWSA-N 50441693 CHEMBL2435862 C-C chemokine receptor type 5 1.7 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441693&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711956 175454010 CHEMBL2435862 ZINC96285350 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080181 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC2)C1=O)c1ccccc1 InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1 BUQGFMHFSZHCHF-UQTORGHUSA-N 50441712 CHEMBL2435906 C-C chemokine receptor type 5 1.7 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441712&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458103 175454029 CHEMBL2435906 ZINC96285390 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080182 C[C@@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28-/m0/s1 FPBBMOPREIDYGA-FIPFOOKPSA-N 50441689 CHEMBL2435886 C-C chemokine receptor type 5 1.5 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441689&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714079 175454006 CHEMBL2435886 ZINC96285342 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080183 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28+/m1/s1 FPBBMOPREIDYGA-LXFBAYGMSA-N 50441720 CHEMBL2435885 C-C chemokine receptor type 5 1.5 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441720&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714078 175454037 CHEMBL2435885 ZINC96285397 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080184 Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(F)c1 InChI=1S/C33H37FN4O5/c1-22-25(7-10-31(35-22)43-29-8-5-23(6-9-29)32(39)40)20-36-15-11-28(12-16-36)38-30(24-3-2-4-26(34)19-24)21-37(33(38)41)27-13-17-42-18-14-27/h2-10,19,27-28,30H,11-18,20-21H2,1H3,(H,39,40)/t30-/m0/s1 JISVNNLWWSILRY-PMERELPUSA-N 50441721 CHEMBL2435855 C-C chemokine receptor type 5 1.5 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441721&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58835155 175454038 CHEMBL2435855 ZINC96285398 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080185 Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C33H38N4O5/c1-23-26(9-12-31(34-23)42-29-10-7-25(8-11-29)32(38)39)21-35-17-13-28(14-18-35)37-30(24-5-3-2-4-6-24)22-36(33(37)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H,38,39)/t30-/m0/s1 NAYZSSQGIKJDGG-PMERELPUSA-N 50441717 CHEMBL2435852 C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441717&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58835024 175454034 CHEMBL2435852 ZINC96285394 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080186 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccccc2)C1=O)c1ccccc1 InChI=1S/C33H40ClN5O2/c1-23-20-30(34)36-25(3)31(23)32(40)35-17-14-24(2)37-18-15-28(16-19-37)39-29(27-12-8-5-9-13-27)22-38(33(39)41)21-26-10-6-4-7-11-26/h4-13,20,24,28-29H,14-19,21-22H2,1-3H3,(H,35,40)/t24?,29-/m0/s1 QQPGVUMKWQYOEK-PEFOLFAWSA-N 50441691 CHEMBL2435860 C-C chemokine receptor type 5 1.3 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441691&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711742 175454008 CHEMBL2435860 ZINC96285346 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080187 CNC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)c(C)n2)cc1 InChI=1S/C34H41N5O4/c1-24-27(10-13-32(36-24)43-30-11-8-26(9-12-30)33(40)35-2)22-37-18-14-29(15-19-37)39-31(25-6-4-3-5-7-25)23-38(34(39)41)28-16-20-42-21-17-28/h3-13,28-29,31H,14-23H2,1-2H3,(H,35,40)/t31-/m0/s1 GXAULSHQHOUJMH-HKBQPEDESA-N 50441722 CHEMBL2435843 C-C chemokine receptor type 5 1.3 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441722&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58835000 175454039 CHEMBL2435843 ZINC96285399 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080188 OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3cccc(Cl)c3)cn2)cc1 InChI=1S/C32H35ClN4O5/c33-25-3-1-2-24(18-25)29-21-36(26-12-16-41-17-13-26)32(40)37(29)27-10-14-35(15-11-27)20-22-4-9-30(34-19-22)42-28-7-5-23(6-8-28)31(38)39/h1-9,18-19,26-27,29H,10-17,20-21H2,(H,38,39)/t29-/m0/s1 FXULQZUSZUIYOW-LJAQVGFWSA-N 50441723 CHEMBL2435851 C-C chemokine receptor type 5 1.3 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441723&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58835027 175454040 CHEMBL2435851 ZINC96285400 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080189 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cnccc2C)C1=O)c1ccccc1 InChI=1S/C33H41ClN6O2/c1-22-10-14-35-19-27(22)20-39-21-29(26-8-6-5-7-9-26)40(33(39)42)28-12-16-38(17-13-28)24(3)11-15-36-32(41)31-23(2)18-30(34)37-25(31)4/h5-10,14,18-19,24,28-29H,11-13,15-17,20-21H2,1-4H3,(H,36,41)/t24?,29-/m0/s1 GLPOBUHYQIRJAI-PEFOLFAWSA-N 50441693 CHEMBL2435862 C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441693&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711956 175454010 CHEMBL2435862 ZINC96285350 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080190 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccccc2)C1=O)c1ccccc1 InChI=1S/C33H40ClN5O2/c1-23-20-30(34)36-25(3)31(23)32(40)35-17-14-24(2)37-18-15-28(16-19-37)39-29(27-12-8-5-9-13-27)22-38(33(39)41)21-26-10-6-4-7-11-26/h4-13,20,24,28-29H,14-19,21-22H2,1-3H3,(H,35,40)/t24?,29-/m0/s1 QQPGVUMKWQYOEK-PEFOLFAWSA-N 50441691 CHEMBL2435860 C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441691&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711742 175454008 CHEMBL2435860 ZINC96285346 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080191 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28+/m1/s1 FPBBMOPREIDYGA-LXFBAYGMSA-N 50441720 CHEMBL2435885 C-C chemokine receptor type 5 1.2 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441720&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714078 175454037 CHEMBL2435885 ZINC96285397 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080192 Cc1nc(Oc2ccc(cc2)C(N)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C33H39N5O4/c1-23-26(9-12-31(35-23)42-29-10-7-25(8-11-29)32(34)39)21-36-17-13-28(14-18-36)38-30(24-5-3-2-4-6-24)22-37(33(38)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H2,34,39)/t30-/m0/s1 OKRZBWWJVVVKHT-PMERELPUSA-N 50441718 CHEMBL2435858 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441718&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58834953 175454035 CHEMBL2435858 ZINC96285395 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080193 Cc1cccc(c1)[C@@H]1CN(C2CCOCC2)C(=O)N1C1CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)nc2C)CC1 InChI=1S/C34H40N4O5/c1-23-4-3-5-26(20-23)31-22-37(28-14-18-42-19-15-28)34(41)38(31)29-12-16-36(17-13-29)21-27-8-11-32(35-24(27)2)43-30-9-6-25(7-10-30)33(39)40/h3-11,20,28-29,31H,12-19,21-22H2,1-2H3,(H,39,40)/t31-/m0/s1 HVCNZNXEJRDNJD-HKBQPEDESA-N 50441724 CHEMBL2435854 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441724&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58835114 175454041 CHEMBL2435854 ZINC96285401 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080194 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O3/c1-22-19-29(33)35-24(3)30(22)31(39)34-14-9-23(2)36-15-10-27(11-16-36)38-28(26-7-5-4-6-8-26)21-37(32(38)40)20-25-12-17-41-18-13-25/h4-8,19,23,25,27-28H,9-18,20-21H2,1-3H3,(H,34,39)/t23?,28-/m0/s1 UPDSQDKCTCPMPO-WOKNPCPGSA-N 50441725 CHEMBL2435909 C-C chemokine receptor type 5 1.1 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441725&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711740 175454042 CHEMBL2435909 ZINC96285403 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080195 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 InChI=1S/C34H40ClN5O4/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43)/t23?,29-/m0/s1 KDKOAYRCXAQUFY-IZCXSWDTSA-N 50441710 CHEMBL2435866 C-C chemokine receptor type 5 1.000000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441710&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458245 175454027 CHEMBL2435866 ZINC96285384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080196 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccncc2)C1=O)c1ccccc1 InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-9-23(2)37-17-12-27(13-18-37)39-28(26-7-5-4-6-8-26)21-38(32(39)41)20-25-10-14-34-15-11-25/h4-8,10-11,14-15,19,23,27-28H,9,12-13,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1 NKOHPZAPXOVEEK-WOKNPCPGSA-N 50441705 CHEMBL2435864 C-C chemokine receptor type 5 1.000000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441705&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711958 175454022 CHEMBL2435864 ZINC96285374 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080197 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCC2)C1=O)c1ccccc1 InChI=1S/C31H42ClN5O2/c1-21-19-28(32)34-23(3)29(21)30(38)33-16-13-22(2)35-17-14-26(15-18-35)37-27(24-9-5-4-6-10-24)20-36(31(37)39)25-11-7-8-12-25/h4-6,9-10,19,22,25-27H,7-8,11-18,20H2,1-3H3,(H,33,38)/t22?,27-/m0/s1 DGHNQLRVFQCZFN-ZUILJJEPSA-N 50441726 CHEMBL2435907 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441726&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711739 175454043 CHEMBL2435907 ZINC96285405 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080198 Cc1nc(Nc2ccc(cc2)C(O)=O)ncc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1 InChI=1S/C32H37ClN6O4/c1-21-24(18-34-31(35-21)36-26-7-5-22(6-8-26)30(40)41)19-37-13-9-28(10-14-37)39-29(23-3-2-4-25(33)17-23)20-38(32(39)42)27-11-15-43-16-12-27/h2-8,17-18,27-29H,9-16,19-20H2,1H3,(H,40,41)(H,34,35,36)/t29-/m0/s1 CDDUGYMASQDEKR-LJAQVGFWSA-N 50441727 CHEMBL2435845 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441727&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58834946 175454044 CHEMBL2435845 ZINC96285406 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080199 OC(=O)c1ccc(Sc2ncc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3cccc(Cl)c3)cn2)cc1 InChI=1S/C31H34ClN5O4S/c32-24-3-1-2-23(16-24)28-20-36(25-10-14-41-15-11-25)31(40)37(28)26-8-12-35(13-9-26)19-21-17-33-30(34-18-21)42-27-6-4-22(5-7-27)29(38)39/h1-7,16-18,25-26,28H,8-15,19-20H2,(H,38,39)/t28-/m0/s1 PXWFHSBJRCMRCF-NDEPHWFRSA-N 50441728 CHEMBL2435844 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441728&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58835113 175454045 CHEMBL2435844 ZINC96285407 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080200 OC(=O)c1ccc(Sc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)cn2)cc1 InChI=1S/C32H36N4O4S/c37-31(38)25-7-9-28(10-8-25)41-30-11-6-23(20-33-30)21-34-16-12-27(13-17-34)36-29(24-4-2-1-3-5-24)22-35(32(36)39)26-14-18-40-19-15-26/h1-11,20,26-27,29H,12-19,21-22H2,(H,37,38)/t29-/m0/s1 BZKHTWAGPLWPPO-LJAQVGFWSA-N 50441716 CHEMBL2434978 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441716&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16041411 175454033 CHEMBL2434978 ZINC59635340 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080201 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(CC2CCCCC2)C1=O)c1ccccc1 InChI=1S/C33H46ClN5O2/c1-23-20-30(34)36-25(3)31(23)32(40)35-17-14-24(2)37-18-15-28(16-19-37)39-29(27-12-8-5-9-13-27)22-38(33(39)41)21-26-10-6-4-7-11-26/h5,8-9,12-13,20,24,26,28-29H,4,6-7,10-11,14-19,21-22H2,1-3H3,(H,35,40)/t24?,29-/m0/s1 GLZGIZYROAGFSY-PEFOLFAWSA-N 50441694 CHEMBL2435859 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441694&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711741 175454011 CHEMBL2435859 ZINC96285352 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080202 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCC2)C1=O)c1ccccc1 InChI=1S/C31H42ClN5O2/c1-21-19-28(32)34-23(3)29(21)30(38)33-16-13-22(2)35-17-14-26(15-18-35)37-27(24-9-5-4-6-10-24)20-36(31(37)39)25-11-7-8-12-25/h4-6,9-10,19,22,25-27H,7-8,11-18,20H2,1-3H3,(H,33,38)/t22?,27-/m0/s1 DGHNQLRVFQCZFN-ZUILJJEPSA-N 50441726 CHEMBL2435907 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441726&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711739 175454043 CHEMBL2435907 ZINC96285405 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080203 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1 InChI=1S/C30H42ClN5O2S/c1-20-17-27(31)33-22(3)28(20)29(37)32-13-9-21(2)34-14-10-25(11-15-34)36-26(23-12-16-39-19-23)18-35(30(36)38)24-7-5-4-6-8-24/h12,16-17,19,21,24-26H,4-11,13-15,18H2,1-3H3,(H,32,37) RQYNLNIHIFFLTK-UHFFFAOYSA-N 50441711 CHEMBL2435912 C-C chemokine receptor type 5 0.900000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441711&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458247 175454028 CHEMBL2435912 ZINC96285388 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080204 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccncc2)C1=O)c1ccccc1 InChI=1S/C32H39ClN6O2/c1-22-19-29(33)36-24(3)30(22)31(40)35-16-9-23(2)37-17-12-27(13-18-37)39-28(26-7-5-4-6-8-26)21-38(32(39)41)20-25-10-14-34-15-11-25/h4-8,10-11,14-15,19,23,27-28H,9,12-13,16-18,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1 NKOHPZAPXOVEEK-WOKNPCPGSA-N 50441705 CHEMBL2435864 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441705&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711958 175454022 CHEMBL2435864 ZINC96285374 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080205 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O3/c1-22-19-29(33)35-24(3)30(22)31(39)34-14-9-23(2)36-15-10-27(11-16-36)38-28(26-7-5-4-6-8-26)21-37(32(38)40)20-25-12-17-41-18-13-25/h4-8,19,23,25,27-28H,9-18,20-21H2,1-3H3,(H,34,39)/t23?,28-/m0/s1 UPDSQDKCTCPMPO-WOKNPCPGSA-N 50441725 CHEMBL2435909 C-C chemokine receptor type 5 0.800000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441725&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711740 175454042 CHEMBL2435909 ZINC96285403 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080206 CCc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C34H40N4O5/c1-2-30-26(10-13-32(35-30)43-29-11-8-25(9-12-29)33(39)40)22-36-18-14-28(15-19-36)38-31(24-6-4-3-5-7-24)23-37(34(38)41)27-16-20-42-21-17-27/h3-13,27-28,31H,2,14-23H2,1H3,(H,39,40)/t31-/m0/s1 FJAGYOZYOQUDEQ-HKBQPEDESA-N 50441713 CHEMBL2435856 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441713&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58835217 175454030 CHEMBL2435856 ZINC96285391 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080207 Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1 InChI=1S/C33H37ClN4O5/c1-22-25(7-10-31(35-22)43-29-8-5-23(6-9-29)32(39)40)20-36-15-11-28(12-16-36)38-30(24-3-2-4-26(34)19-24)21-37(33(38)41)27-13-17-42-18-14-27/h2-10,19,27-28,30H,11-18,20-21H2,1H3,(H,39,40)/t30-/m0/s1 UFZMURFKAOEOKB-PMERELPUSA-N 50441719 CHEMBL2435853 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441719&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58834906 175454036 CHEMBL2435853 ZINC96285396 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080208 C[C@@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28-/m0/s1 FPBBMOPREIDYGA-FIPFOOKPSA-N 50441689 CHEMBL2435886 C-C chemokine receptor type 5 0.500000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441689&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714079 175454006 CHEMBL2435886 ZINC96285342 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080209 Cc1nc(Sc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 InChI=1S/C33H38N4O4S/c1-23-26(9-12-31(34-23)42-29-10-7-25(8-11-29)32(38)39)21-35-17-13-28(14-18-35)37-30(24-5-3-2-4-6-24)22-36(33(37)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H,38,39)/t30-/m0/s1 ILWQMZOJRMODQK-PMERELPUSA-N 50441729 CHEMBL2435857 C-C chemokine receptor type 5 0.400000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441729&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58834969 175454046 CHEMBL2435857 ZINC96285408 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080210 Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C34H46ClN5O2/c1-24-22-30(35)36-25(2)31(24)32(41)37-20-16-34(3,17-21-37)38-18-14-28(15-19-38)40-29(26-10-6-4-7-11-26)23-39(33(40)42)27-12-8-5-9-13-27/h4,6-7,10-11,22,27-29H,5,8-9,12-21,23H2,1-3H3/t29-/m0/s1 DVECZYIFQCYTKG-LJAQVGFWSA-N 50441708 CHEMBL2435848 C-C chemokine receptor type 5 0.300000 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441708&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712598 175454025 CHEMBL2435848 ZINC96285380 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080211 C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m1/s1 BJXRNPXUTJVEQG-SKCUWOTOSA-N 50441714 CHEMBL2435882 C-C chemokine receptor type 5 9039 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441714&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72713861 175454031 CHEMBL2435882 ZINC96285392 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080212 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1Cl InChI=1S/C31H43ClN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-25(15-18-36)38-28(26-11-7-8-12-27(26)32)19-37(31(38)40)24-9-5-4-6-10-24/h7-8,11-12,20-21,24-25,28H,4-6,9-10,13-19H2,1-3H3,(H,33,39) KOCOTUUHHFPNEF-UHFFFAOYSA-N 50441730 CHEMBL2435889 C-C chemokine receptor type 5 3148 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441730&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714319 175454047 CHEMBL2435889 ZINC96285412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080213 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccc(Br)cc1 InChI=1S/C31H43BrN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-27(15-18-36)38-28(24-9-11-25(32)12-10-24)19-37(31(38)40)26-7-5-4-6-8-26/h9-12,20-21,26-28H,4-8,13-19H2,1-3H3,(H,33,39) OBLSTCGAGZPSCE-UHFFFAOYSA-N 50441731 CHEMBL2435896 C-C chemokine receptor type 5 3020 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441731&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711051 175454048 CHEMBL2435896 ZINC96285416 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080214 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccnc1 InChI=1S/C30H43N7O2/c1-21(11-15-32-29(38)28-22(2)33-20-34-23(28)3)35-16-12-26(13-17-35)37-27(24-8-7-14-31-18-24)19-36(30(37)39)25-9-5-4-6-10-25/h7-8,14,18,20-21,25-27H,4-6,9-13,15-17,19H2,1-3H3,(H,32,38) NAECBSHMFGJZKH-UHFFFAOYSA-N 50441732 CHEMBL2435899 C-C chemokine receptor type 5 2938 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441732&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711279 175454049 CHEMBL2435899 ZINC96285420 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080215 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ncccn2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C31H37N5O/c37-31-35(27-10-5-2-6-11-27)23-29(25-8-3-1-4-9-25)36(31)28-16-20-34(21-17-28)22-24-12-14-26(15-13-24)30-32-18-7-19-33-30/h1,3-4,7-9,12-15,18-19,27-29H,2,5-6,10-11,16-17,20-23H2/t29-/m0/s1 UHPJQEHYGGTQIM-LJAQVGFWSA-N 50441733 CHEMBL2435869 C-C chemokine receptor type 5 2040 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712160 175454050 CHEMBL2435869 ZINC96285421 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080216 C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28+/m0/s1 BJXRNPXUTJVEQG-RBISFHTESA-N 50441734 CHEMBL2435884 C-C chemokine receptor type 5 1839 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714077 175454051 CHEMBL2435884 ZINC96285422 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080217 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1C InChI=1S/C32H46N6O2/c1-22-10-8-9-13-28(22)29-20-37(26-11-6-5-7-12-26)32(40)38(29)27-15-18-36(19-16-27)23(2)14-17-33-31(39)30-24(3)34-21-35-25(30)4/h8-10,13,21,23,26-27,29H,5-7,11-12,14-20H2,1-4H3,(H,33,39) MZSUZRLLPGOZDL-UHFFFAOYSA-N 50441735 CHEMBL2435887 C-C chemokine receptor type 5 1702 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714317 175454052 CHEMBL2435887 ZINC96285426 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080218 Cc1ccccc1N1CCC(CN2CCC(CC2)N2[C@@H](CN(C3CCCCC3)C2=O)c2ccccc2)CC1 InChI=1S/C33H46N4O/c1-26-10-8-9-15-31(26)35-22-16-27(17-23-35)24-34-20-18-30(19-21-34)37-32(28-11-4-2-5-12-28)25-36(33(37)38)29-13-6-3-7-14-29/h2,4-5,8-12,15,27,29-30,32H,3,6-7,13-14,16-25H2,1H3/t32-/m0/s1 LNIHUJWMYNLPMN-YTTGMZPUSA-N 50441715 CHEMBL2435875 C-C chemokine receptor type 5 1595 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441715&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712375 175454032 CHEMBL2435875 ZINC96285393 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080219 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1Cl InChI=1S/C31H43ClN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-25(15-18-36)38-28(26-11-7-8-12-27(26)32)19-37(31(38)40)24-9-5-4-6-10-24/h7-8,11-12,20-21,24-25,28H,4-6,9-10,13-19H2,1-3H3,(H,33,39) KOCOTUUHHFPNEF-UHFFFAOYSA-N 50441730 CHEMBL2435889 C-C chemokine receptor type 5 1526 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441730&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714319 175454047 CHEMBL2435889 ZINC96285412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080220 C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28+/m0/s1 BJXRNPXUTJVEQG-RBISFHTESA-N 50441734 CHEMBL2435884 C-C chemokine receptor type 5 1465 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441734&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714077 175454051 CHEMBL2435884 ZINC96285422 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080221 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccn1 InChI=1S/C30H43N7O2/c1-21(12-16-32-29(38)28-22(2)33-20-34-23(28)3)35-17-13-25(14-18-35)37-27(26-11-7-8-15-31-26)19-36(30(37)39)24-9-5-4-6-10-24/h7-8,11,15,20-21,24-25,27H,4-6,9-10,12-14,16-19H2,1-3H3,(H,32,38) OROUXHYXSXXTGC-UHFFFAOYSA-N 50441736 CHEMBL2435900 C-C chemokine receptor type 5 909 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711280 175454053 CHEMBL2435900 ZINC96285430 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080222 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccnc1 InChI=1S/C30H43N7O2/c1-21(11-15-32-29(38)28-22(2)33-20-34-23(28)3)35-16-12-26(13-17-35)37-27(24-8-7-14-31-18-24)19-36(30(37)39)25-9-5-4-6-10-25/h7-8,14,18,20-21,25-27H,4-6,9-13,15-17,19H2,1-3H3,(H,32,38) NAECBSHMFGJZKH-UHFFFAOYSA-N 50441732 CHEMBL2435899 C-C chemokine receptor type 5 832 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441732&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711279 175454049 CHEMBL2435899 ZINC96285420 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080223 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC(CC2)C(O)=O)C1=O)c1ccccc1 InChI=1S/C33H44ClN5O4/c1-21-19-29(34)36-23(3)30(21)31(40)35-16-13-22(2)37-17-14-27(15-18-37)39-28(24-7-5-4-6-8-24)20-38(33(39)43)26-11-9-25(10-12-26)32(41)42/h4-8,19,22,25-28H,9-18,20H2,1-3H3,(H,35,40)(H,41,42)/t22?,25?,26?,28-/m0/s1 NYXVTYVDAASDRR-UTRCTOQHSA-N 50441737 CHEMBL2435865 C-C chemokine receptor type 5 807 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712158 175454054 CHEMBL2435865 ZINC96285432 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080224 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccc(Br)cc1 InChI=1S/C31H43BrN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-27(15-18-36)38-28(24-9-11-25(32)12-10-24)19-37(31(38)40)26-7-5-4-6-8-26/h9-12,20-21,26-28H,4-8,13-19H2,1-3H3,(H,33,39) OBLSTCGAGZPSCE-UHFFFAOYSA-N 50441731 CHEMBL2435896 C-C chemokine receptor type 5 701 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441731&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711051 175454048 CHEMBL2435896 ZINC96285416 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080225 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ccncc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C32H38N4O/c37-32-35(29-9-5-2-6-10-29)24-31(28-7-3-1-4-8-28)36(32)30-17-21-34(22-18-30)23-25-11-13-26(14-12-25)27-15-19-33-20-16-27/h1,3-4,7-8,11-16,19-20,29-31H,2,5-6,9-10,17-18,21-24H2/t31-/m0/s1 VAMOQBKPFQCFPI-HKBQPEDESA-N 50441738 CHEMBL2435871 C-C chemokine receptor type 5 548 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712371 175454055 CHEMBL2435871 ZINC96285433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080226 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C33H39N3O/c37-33-35(30-14-8-3-9-15-30)25-32(29-12-6-2-7-13-29)36(33)31-20-22-34(23-21-31)24-26-16-18-28(19-17-26)27-10-4-1-5-11-27/h1-2,4-7,10-13,16-19,30-32H,3,8-9,14-15,20-25H2/t32-/m0/s1 PGDRVVKGQXFTBB-YTTGMZPUSA-N 50441739 CHEMBL2435867 C-C chemokine receptor type 5 436 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712159 175454056 CHEMBL2435867 ZINC96285434 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080227 COC(=O)c1cccc(c1)C1CN(C2CCCCC2)C(=O)N1C1CCN(CC1)C(C)CCNC(=O)c1c(C)ncnc1C InChI=1S/C33H46N6O4/c1-22(13-16-34-31(40)30-23(2)35-21-36-24(30)3)37-17-14-28(15-18-37)39-29(25-9-8-10-26(19-25)32(41)43-4)20-38(33(39)42)27-11-6-5-7-12-27/h8-10,19,21-22,27-29H,5-7,11-18,20H2,1-4H3,(H,34,40) SLEWUPBUEBQZJK-UHFFFAOYSA-N 50441740 CHEMBL2435895 C-C chemokine receptor type 5 347 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711050 175454057 CHEMBL2435895 ZINC96285438 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080230 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ncccn2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C31H37N5O/c37-31-35(27-10-5-2-6-11-27)23-29(25-8-3-1-4-9-25)36(31)28-16-20-34(21-17-28)22-24-12-14-26(15-13-24)30-32-18-7-19-33-30/h1,3-4,7-9,12-15,18-19,27-29H,2,5-6,10-11,16-17,20-23H2/t29-/m0/s1 UHPJQEHYGGTQIM-LJAQVGFWSA-N 50441733 CHEMBL2435869 C-C chemokine receptor type 5 334 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712160 175454050 CHEMBL2435869 ZINC96285421 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080231 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1C InChI=1S/C32H46N6O2/c1-22-10-8-9-13-28(22)29-20-37(26-11-6-5-7-12-26)32(40)38(29)27-15-18-36(19-16-27)23(2)14-17-33-31(39)30-24(3)34-21-35-25(30)4/h8-10,13,21,23,26-27,29H,5-7,11-12,14-20H2,1-4H3,(H,33,39) MZSUZRLLPGOZDL-UHFFFAOYSA-N 50441735 CHEMBL2435887 C-C chemokine receptor type 5 322 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714317 175454052 CHEMBL2435887 ZINC96285426 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080232 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccn1 InChI=1S/C30H43N7O2/c1-21(12-16-32-29(38)28-22(2)33-20-34-23(28)3)35-17-13-25(14-18-35)37-27(26-11-7-8-15-31-26)19-36(30(37)39)24-9-5-4-6-10-24/h7-8,11,15,20-21,24-25,27H,4-6,9-10,12-14,16-19H2,1-3H3,(H,32,38) OROUXHYXSXXTGC-UHFFFAOYSA-N 50441736 CHEMBL2435900 C-C chemokine receptor type 5 301 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711280 175454053 CHEMBL2435900 ZINC96285430 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080233 Cn1nnc(n1)-c1ccc(CN2CCC(CC2)N2[C@@H](CN(C3CCCCC3)C2=O)c2ccccc2)cc1 InChI=1S/C29H37N7O/c1-33-31-28(30-32-33)24-14-12-22(13-15-24)20-34-18-16-26(17-19-34)36-27(23-8-4-2-5-9-23)21-35(29(36)37)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25-27H,3,6-7,10-11,16-21H2,1H3/t27-/m0/s1 JUZAELHUYZBTDG-MHZLTWQESA-N 50441743 CHEMBL2435872 C-C chemokine receptor type 5 280 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712372 175454060 CHEMBL2435872 ZINC96285444 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080234 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2cccnc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C32H38N4O/c37-32-35(29-11-5-2-6-12-29)24-31(27-8-3-1-4-9-27)36(32)30-17-20-34(21-18-30)23-25-13-15-26(16-14-25)28-10-7-19-33-22-28/h1,3-4,7-10,13-16,19,22,29-31H,2,5-6,11-12,17-18,20-21,23-24H2/t31-/m0/s1 KXRQCZCYTQITLM-HKBQPEDESA-N 50441744 CHEMBL2435870 C-C chemokine receptor type 5 214 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712161 175454061 CHEMBL2435870 ZINC96285445 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080235 O=C1N(C[C@H](N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C28H35N5O/c34-28-32(23-9-5-2-6-10-23)19-27(22-7-3-1-4-8-22)33(28)24-13-15-31(16-14-24)18-21-11-12-25-26(17-21)30-20-29-25/h1,3-4,7-8,11-12,17,20,23-24,27H,2,5-6,9-10,13-16,18-19H2,(H,29,30)/t27-/m0/s1 UAPJTSHNILVGQX-MHZLTWQESA-N 50441745 CHEMBL2435874 C-C chemokine receptor type 5 200 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712374 175454062 CHEMBL2435874 ZINC96285446 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080236 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1Cl InChI=1S/C31H43ClN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-25(15-18-36)38-28(26-11-7-8-12-27(26)32)19-37(31(38)40)24-9-5-4-6-10-24/h7-8,11-12,20-21,24-25,28H,4-6,9-10,13-19H2,1-3H3,(H,33,39) KOCOTUUHHFPNEF-UHFFFAOYSA-N 50441730 CHEMBL2435889 C-C chemokine receptor type 5 195 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441730&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714319 175454047 CHEMBL2435889 ZINC96285412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080237 COC(=O)c1cccc(c1)C1CN(C2CCCCC2)C(=O)N1C1CCN(CC1)C(C)CCNC(=O)c1c(C)ncnc1C InChI=1S/C33H46N6O4/c1-22(13-16-34-31(40)30-23(2)35-21-36-24(30)3)37-17-14-28(15-18-37)39-29(25-9-8-10-26(19-25)32(41)43-4)20-38(33(39)42)27-11-6-5-7-12-27/h8-10,19,21-22,27-29H,5-7,11-18,20H2,1-4H3,(H,34,40) SLEWUPBUEBQZJK-UHFFFAOYSA-N 50441740 CHEMBL2435895 C-C chemokine receptor type 5 176 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711050 175454057 CHEMBL2435895 ZINC96285438 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080238 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ncccn2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C31H37N5O/c37-31-35(27-10-5-2-6-11-27)23-29(25-8-3-1-4-9-25)36(31)28-16-20-34(21-17-28)22-24-12-14-26(15-13-24)30-32-18-7-19-33-30/h1,3-4,7-9,12-15,18-19,27-29H,2,5-6,10-11,16-17,20-23H2/t29-/m0/s1 UHPJQEHYGGTQIM-LJAQVGFWSA-N 50441733 CHEMBL2435869 C-C chemokine receptor type 5 169 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441733&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712160 175454050 CHEMBL2435869 ZINC96285421 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080239 COC(=O)c1cccc(c1)C1CN(C2CCCCC2)C(=O)N1C1CCN(CC1)C(C)CCNC(=O)c1c(C)ncnc1C InChI=1S/C33H46N6O4/c1-22(13-16-34-31(40)30-23(2)35-21-36-24(30)3)37-17-14-28(15-18-37)39-29(25-9-8-10-26(19-25)32(41)43-4)20-38(33(39)42)27-11-6-5-7-12-27/h8-10,19,21-22,27-29H,5-7,11-18,20H2,1-4H3,(H,34,40) SLEWUPBUEBQZJK-UHFFFAOYSA-N 50441740 CHEMBL2435895 C-C chemokine receptor type 5 158 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711050 175454057 CHEMBL2435895 ZINC96285438 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080240 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1F InChI=1S/C31H43FN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-25(15-18-36)38-28(26-11-7-8-12-27(26)32)19-37(31(38)40)24-9-5-4-6-10-24/h7-8,11-12,20-21,24-25,28H,4-6,9-10,13-19H2,1-3H3,(H,33,39) KJRYGRVOCLJMQX-UHFFFAOYSA-N 50441741 CHEMBL2435888 C-C chemokine receptor type 5 155 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714318 175454058 CHEMBL2435888 ZINC96285442 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080241 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(C)n1 InChI=1S/C31H45N7O2/c1-21-9-8-12-27(35-21)28-19-37(25-10-6-5-7-11-25)31(40)38(28)26-14-17-36(18-15-26)22(2)13-16-32-30(39)29-23(3)33-20-34-24(29)4/h8-9,12,20,22,25-26,28H,5-7,10-11,13-19H2,1-4H3,(H,32,39) RTYGTGBSHLMYRK-UHFFFAOYSA-N 50441746 CHEMBL2435901 C-C chemokine receptor type 5 150 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711281 175454063 CHEMBL2435901 ZINC96285450 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080242 O=C1N(C[C@H](N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C33H39N3O2/c37-33-35(28-12-6-2-7-13-28)25-32(27-10-4-1-5-11-27)36(33)29-20-22-34(23-21-29)24-26-16-18-31(19-17-26)38-30-14-8-3-9-15-30/h1,3-5,8-11,14-19,28-29,32H,2,6-7,12-13,20-25H2/t32-/m0/s1 HHCBWVIBTCVDEC-YTTGMZPUSA-N 50441747 CHEMBL2435877 C-C chemokine receptor type 5 136 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73355478 175454064 CHEMBL2435877 ZINC96285451 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080243 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(C)n1 InChI=1S/C31H45N7O2/c1-21-9-8-12-27(35-21)28-19-37(25-10-6-5-7-11-25)31(40)38(28)26-14-17-36(18-15-26)22(2)13-16-32-30(39)29-23(3)33-20-34-24(29)4/h8-9,12,20,22,25-26,28H,5-7,10-11,13-19H2,1-4H3,(H,32,39) RTYGTGBSHLMYRK-UHFFFAOYSA-N 50441746 CHEMBL2435901 C-C chemokine receptor type 5 117 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711281 175454063 CHEMBL2435901 ZINC96285450 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080244 OC(=O)c1cccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)c1 InChI=1S/C34H39N3O4/c38-33(39)27-10-7-13-31(22-27)41-30-16-14-25(15-17-30)23-35-20-18-29(19-21-35)37-32(26-8-3-1-4-9-26)24-36(34(37)40)28-11-5-2-6-12-28/h1,3-4,7-10,13-17,22,28-29,32H,2,5-6,11-12,18-21,23-24H2,(H,38,39)/t32-/m0/s1 VEFVDNGKAXKYKZ-YTTGMZPUSA-N 50441748 CHEMBL2435846 C-C chemokine receptor type 5 93 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73352463 175454065 CHEMBL2435846 ZINC96285452 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080245 O=C1N(C[C@H](N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C28H35N5O/c34-28-32(23-9-5-2-6-10-23)19-27(22-7-3-1-4-8-22)33(28)24-13-15-31(16-14-24)18-21-11-12-25-26(17-21)30-20-29-25/h1,3-4,7-8,11-12,17,20,23-24,27H,2,5-6,9-10,13-16,18-19H2,(H,29,30)/t27-/m0/s1 UAPJTSHNILVGQX-MHZLTWQESA-N 50441745 CHEMBL2435874 C-C chemokine receptor type 5 91 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712374 175454062 CHEMBL2435874 ZINC96285446 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080246 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1F InChI=1S/C31H43FN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-25(15-18-36)38-28(26-11-7-8-12-27(26)32)19-37(31(38)40)24-9-5-4-6-10-24/h7-8,11-12,20-21,24-25,28H,4-6,9-10,13-19H2,1-3H3,(H,33,39) KJRYGRVOCLJMQX-UHFFFAOYSA-N 50441741 CHEMBL2435888 C-C chemokine receptor type 5 91 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714318 175454058 CHEMBL2435888 ZINC96285442 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080247 CNC(=O)c1ccc(CN2CCC(CC2)N2[C@@H](CN(C3CCCCC3)C2=O)c2ccccc2)cc1 InChI=1S/C29H38N4O2/c1-30-28(34)24-14-12-22(13-15-24)20-31-18-16-26(17-19-31)33-27(23-8-4-2-5-9-23)21-32(29(33)35)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25-27H,3,6-7,10-11,16-21H2,1H3,(H,30,34)/t27-/m0/s1 RZSIDAVYRACEDW-MHZLTWQESA-N 50441749 CHEMBL2435876 C-C chemokine receptor type 5 85 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712597 175454066 CHEMBL2435876 ZINC96285453 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080248 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1 InChI=1S/C29H42N6O2S/c1-20(9-13-30-28(36)27-21(2)31-19-32-22(27)3)33-14-10-25(11-15-33)35-26(23-12-16-38-18-23)17-34(29(35)37)24-7-5-4-6-8-24/h12,16,18-20,24-26H,4-11,13-15,17H2,1-3H3,(H,30,36) MSLNBTSKWRGVMU-UHFFFAOYSA-N 50441750 CHEMBL2435910 C-C chemokine receptor type 5 85 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72713858 175454067 CHEMBL2435910 ZINC96285457 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080249 CNC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C35H42N4O3/c1-36-34(40)28-14-18-32(19-15-28)42-31-16-12-26(13-17-31)24-37-22-20-30(21-23-37)39-33(27-8-4-2-5-9-27)25-38(35(39)41)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,29-30,33H,3,6-7,10-11,20-25H2,1H3,(H,36,40)/t33-/m0/s1 UYTYPQVLRVEZRK-XIFFEERXSA-N 50441688 CHEMBL2435878 C-C chemokine receptor type 5 45 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441688&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346388 175454005 CHEMBL2435878 ZINC96285341 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080250 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1 InChI=1S/C29H42N6O2S/c1-20(9-13-30-28(36)27-21(2)31-19-32-22(27)3)33-14-10-25(11-15-33)35-26(23-12-16-38-18-23)17-34(29(35)37)24-7-5-4-6-8-24/h12,16,18-20,24-26H,4-11,13-15,17H2,1-3H3,(H,30,36) MSLNBTSKWRGVMU-UHFFFAOYSA-N 50441750 CHEMBL2435910 C-C chemokine receptor type 5 44 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72713858 175454067 CHEMBL2435910 ZINC96285457 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080251 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2cccnc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C32H38N4O/c37-32-35(29-11-5-2-6-12-29)24-31(27-8-3-1-4-9-27)36(32)30-17-20-34(21-18-30)23-25-13-15-26(16-14-25)28-10-7-19-33-22-28/h1,3-4,7-10,13-16,19,22,29-31H,2,5-6,11-12,17-18,20-21,23-24H2/t31-/m0/s1 KXRQCZCYTQITLM-HKBQPEDESA-N 50441744 CHEMBL2435870 C-C chemokine receptor type 5 44 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712161 175454061 CHEMBL2435870 ZINC96285445 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080252 Cn1nnc(n1)-c1ccc(CN2CCC(CC2)N2[C@@H](CN(C3CCCCC3)C2=O)c2ccccc2)cc1 InChI=1S/C29H37N7O/c1-33-31-28(30-32-33)24-14-12-22(13-15-24)20-34-18-16-26(17-19-34)36-27(23-8-4-2-5-9-23)21-35(29(36)37)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25-27H,3,6-7,10-11,16-21H2,1H3/t27-/m0/s1 JUZAELHUYZBTDG-MHZLTWQESA-N 50441743 CHEMBL2435872 C-C chemokine receptor type 5 44 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712372 175454060 CHEMBL2435872 ZINC96285444 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080253 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ccncc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C32H38N4O/c37-32-35(29-9-5-2-6-10-29)24-31(28-7-3-1-4-8-28)36(32)30-17-21-34(22-18-30)23-25-11-13-26(14-12-25)27-15-19-33-20-16-27/h1,3-4,7-8,11-16,19-20,29-31H,2,5-6,9-10,17-18,21-24H2/t31-/m0/s1 VAMOQBKPFQCFPI-HKBQPEDESA-N 50441738 CHEMBL2435871 C-C chemokine receptor type 5 44 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712371 175454055 CHEMBL2435871 ZINC96285433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080254 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 InChI=1S/C34H40ClN5O4/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43)/t23?,29-/m0/s1 KDKOAYRCXAQUFY-IZCXSWDTSA-N 50441710 CHEMBL2435866 C-C chemokine receptor type 5 42 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441710&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458245 175454027 CHEMBL2435866 ZINC96285384 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080255 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C33H39N3O/c37-33-35(30-14-8-3-9-15-30)25-32(29-12-6-2-7-13-29)36(33)31-20-22-34(23-21-31)24-26-16-18-28(19-17-26)27-10-4-1-5-11-27/h1-2,4-7,10-13,16-19,30-32H,3,8-9,14-15,20-25H2/t32-/m0/s1 PGDRVVKGQXFTBB-YTTGMZPUSA-N 50441739 CHEMBL2435867 C-C chemokine receptor type 5 42 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712159 175454056 CHEMBL2435867 ZINC96285434 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080256 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cc(C)cc(C)c1 InChI=1S/C33H48N6O2/c1-22-17-23(2)19-27(18-22)30-20-38(28-9-7-6-8-10-28)33(41)39(30)29-12-15-37(16-13-29)24(3)11-14-34-32(40)31-25(4)35-21-36-26(31)5/h17-19,21,24,28-30H,6-16,20H2,1-5H3,(H,34,40) FRBJEUDAEXXYFS-UHFFFAOYSA-N 50441706 CHEMBL2435897 C-C chemokine receptor type 5 80 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441706&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711277 175454023 CHEMBL2435897 ZINC96285378 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080257 C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1 BJXRNPXUTJVEQG-DWACAAAGSA-N 50441707 CHEMBL2435883 C-C chemokine receptor type 5 77 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441707&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714076 175454024 CHEMBL2435883 ZINC96285379 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080258 C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1 BJXRNPXUTJVEQG-DWACAAAGSA-N 50441707 CHEMBL2435883 C-C chemokine receptor type 5 66 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441707&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714076 175454024 CHEMBL2435883 ZINC96285379 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080259 CNC(=O)c1ccc(CN2CCC(CC2)N2[C@@H](CN(C3CCCCC3)C2=O)c2ccccc2)cc1 InChI=1S/C29H38N4O2/c1-30-28(34)24-14-12-22(13-15-24)20-31-18-16-26(17-19-31)33-27(23-8-4-2-5-9-23)21-32(29(33)35)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25-27H,3,6-7,10-11,16-21H2,1H3,(H,30,34)/t27-/m0/s1 RZSIDAVYRACEDW-MHZLTWQESA-N 50441749 CHEMBL2435876 C-C chemokine receptor type 5 63 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712597 175454066 CHEMBL2435876 ZINC96285453 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080260 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(F)c1 InChI=1S/C31H43FN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) WFKZOGGTBBNGQC-UHFFFAOYSA-N 50441751 CHEMBL2435893 C-C chemokine receptor type 5 63 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711048 175454068 CHEMBL2435893 ZINC96285461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080261 CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C36H44N4O3/c1-37(2)35(41)29-15-19-33(20-16-29)43-32-17-13-27(14-18-32)25-38-23-21-31(22-24-38)40-34(28-9-5-3-6-10-28)26-39(36(40)42)30-11-7-4-8-12-30/h3,5-6,9-10,13-20,30-31,34H,4,7-8,11-12,21-26H2,1-2H3/t34-/m0/s1 FYFQDKSOZLVEKB-UMSFTDKQSA-N 50441695 CHEMBL2435879 C-C chemokine receptor type 5 57 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441695&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346389 175454012 CHEMBL2435879 ZINC96285353 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080262 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(c1)C#N InChI=1S/C32H43N7O2/c1-22(12-15-34-31(40)30-23(2)35-21-36-24(30)3)37-16-13-28(14-17-37)39-29(26-9-7-8-25(18-26)19-33)20-38(32(39)41)27-10-5-4-6-11-27/h7-9,18,21-22,27-29H,4-6,10-17,20H2,1-3H3,(H,34,40) MBWNJJUXRXDXKX-UHFFFAOYSA-N 50441752 CHEMBL2435894 C-C chemokine receptor type 5 57 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711049 175454069 CHEMBL2435894 ZINC96285465 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080263 CCN1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 InChI=1S/C28H38ClN5O2/c1-5-32-18-24(22-9-7-6-8-10-22)34(28(32)36)23-12-15-33(16-13-23)20(3)11-14-30-27(35)26-19(2)17-25(29)31-21(26)4/h6-10,17,20,23-24H,5,11-16,18H2,1-4H3,(H,30,35)/t20?,24-/m0/s1 KADVKYIYVIUTGN-JWIMYKKASA-N 50441753 CHEMBL2435902 C-C chemokine receptor type 5 57 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441753&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711506 175454070 CHEMBL2435902 ZINC96285467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080264 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC(CC2)C(O)=O)C1=O)c1ccccc1 InChI=1S/C33H44ClN5O4/c1-21-19-29(34)36-23(3)30(21)31(40)35-16-13-22(2)37-17-14-27(15-18-37)39-28(24-7-5-4-6-8-24)20-38(33(39)43)26-11-9-25(10-12-26)32(41)42/h4-8,19,22,25-28H,9-18,20H2,1-3H3,(H,35,40)(H,41,42)/t22?,25?,26?,28-/m0/s1 NYXVTYVDAASDRR-UTRCTOQHSA-N 50441737 CHEMBL2435865 C-C chemokine receptor type 5 56 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712158 175454054 CHEMBL2435865 ZINC96285432 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080265 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2cccnc2)C1=O)c1ccccc1 InChI=1S/C32H39ClN6O2/c1-22-18-29(33)36-24(3)30(22)31(40)35-15-11-23(2)37-16-12-27(13-17-37)39-28(26-9-5-4-6-10-26)21-38(32(39)41)20-25-8-7-14-34-19-25/h4-10,14,18-19,23,27-28H,11-13,15-17,20-21H2,1-3H3,(H,35,40)/t23?,28-/m0/s1 BLLNKFHFWKLHQV-WOKNPCPGSA-N 50441690 CHEMBL2435863 C-C chemokine receptor type 5 52 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441690&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73347894 175454007 CHEMBL2435863 ZINC96285344 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080266 O=C1N(C[C@H](N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C28H35N5O/c34-28-32(23-9-5-2-6-10-23)19-27(22-7-3-1-4-8-22)33(28)24-13-15-31(16-14-24)18-21-11-12-25-26(17-21)30-20-29-25/h1,3-4,7-8,11-12,17,20,23-24,27H,2,5-6,9-10,13-16,18-19H2,(H,29,30)/t27-/m0/s1 UAPJTSHNILVGQX-MHZLTWQESA-N 50441745 CHEMBL2435874 C-C chemokine receptor type 5 51 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712374 175454062 CHEMBL2435874 ZINC96285446 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080267 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2cncnc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C31H37N5O/c37-31-35(28-9-5-2-6-10-28)22-30(26-7-3-1-4-8-26)36(31)29-15-17-34(18-16-29)21-24-11-13-25(14-12-24)27-19-32-23-33-20-27/h1,3-4,7-8,11-14,19-20,23,28-30H,2,5-6,9-10,15-18,21-22H2/t30-/m0/s1 BJTKGWRIIPEVPM-PMERELPUSA-N 50441754 CHEMBL2435868 C-C chemokine receptor type 5 51 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15950679 175454071 CHEMBL2435868 ZINC34804892 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080268 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ccncc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C32H38N4O/c37-32-35(29-9-5-2-6-10-29)24-31(28-7-3-1-4-8-28)36(32)30-17-21-34(22-18-30)23-25-11-13-26(14-12-25)27-15-19-33-20-16-27/h1,3-4,7-8,11-16,19-20,29-31H,2,5-6,9-10,17-18,21-24H2/t31-/m0/s1 VAMOQBKPFQCFPI-HKBQPEDESA-N 50441738 CHEMBL2435871 C-C chemokine receptor type 5 39 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712371 175454055 CHEMBL2435871 ZINC96285433 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080269 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccsc1 InChI=1S/C29H42N6O2S/c1-20(9-13-30-28(36)27-21(2)31-19-32-22(27)3)33-14-10-25(11-15-33)35-26(23-12-16-38-18-23)17-34(29(35)37)24-7-5-4-6-8-24/h12,16,18-20,24-26H,4-11,13-15,17H2,1-3H3,(H,30,36) MSLNBTSKWRGVMU-UHFFFAOYSA-N 50441750 CHEMBL2435910 C-C chemokine receptor type 5 39 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72713858 175454067 CHEMBL2435910 ZINC96285457 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080270 OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C34H39N3O4/c38-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-35-21-19-29(20-22-35)37-32(26-7-3-1-4-8-26)24-36(34(37)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H,38,39)/t32-/m0/s1 QKHYIMUJIVRLOX-YTTGMZPUSA-N 50441700 CHEMBL2435881 C-C chemokine receptor type 5 39 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441700&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56647076 175454017 CHEMBL2435881 ZINC96285361 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080271 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cc(C)cc(C)c1 InChI=1S/C33H48N6O2/c1-22-17-23(2)19-27(18-22)30-20-38(28-9-7-6-8-10-28)33(41)39(30)29-12-15-37(16-13-29)24(3)11-14-34-32(40)31-25(4)35-21-36-26(31)5/h17-19,21,24,28-30H,6-16,20H2,1-5H3,(H,34,40) FRBJEUDAEXXYFS-UHFFFAOYSA-N 50441706 CHEMBL2435897 C-C chemokine receptor type 5 37 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441706&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711277 175454023 CHEMBL2435897 ZINC96285378 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080272 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(c1)C#N InChI=1S/C32H43N7O2/c1-22(12-15-34-31(40)30-23(2)35-21-36-24(30)3)37-16-13-28(14-17-37)39-29(26-9-7-8-25(18-26)19-33)20-38(32(39)41)27-10-5-4-6-11-27/h7-9,18,21-22,27-29H,4-6,10-17,20H2,1-3H3,(H,34,40) MBWNJJUXRXDXKX-UHFFFAOYSA-N 50441752 CHEMBL2435894 C-C chemokine receptor type 5 35 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711049 175454069 CHEMBL2435894 ZINC96285465 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080273 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(c1)C#N InChI=1S/C32H43N7O2/c1-22(12-15-34-31(40)30-23(2)35-21-36-24(30)3)37-16-13-28(14-17-37)39-29(26-9-7-8-25(18-26)19-33)20-38(32(39)41)27-10-5-4-6-11-27/h7-9,18,21-22,27-29H,4-6,10-17,20H2,1-3H3,(H,34,40) MBWNJJUXRXDXKX-UHFFFAOYSA-N 50441752 CHEMBL2435894 C-C chemokine receptor type 5 32 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711049 175454069 CHEMBL2435894 ZINC96285465 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080274 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cc(C)cc(F)c1 InChI=1S/C32H45FN6O2/c1-21-16-25(18-26(33)17-21)29-19-38(27-8-6-5-7-9-27)32(41)39(29)28-11-14-37(15-12-28)22(2)10-13-34-31(40)30-23(3)35-20-36-24(30)4/h16-18,20,22,27-29H,5-15,19H2,1-4H3,(H,34,40) RABMHVAUKSATIA-UHFFFAOYSA-N 50441697 CHEMBL2435898 C-C chemokine receptor type 5 32 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441697&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711278 175454014 CHEMBL2435898 ZINC96285359 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080275 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(C)c1 InChI=1S/C32H46N6O2/c1-22-9-8-10-26(19-22)29-20-37(27-11-6-5-7-12-27)32(40)38(29)28-14-17-36(18-15-28)23(2)13-16-33-31(39)30-24(3)34-21-35-25(30)4/h8-10,19,21,23,27-29H,5-7,11-18,20H2,1-4H3,(H,33,39) WZRAMHXCXACTHM-UHFFFAOYSA-N 50441701 CHEMBL2435890 C-C chemokine receptor type 5 31 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441701&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714320 175454018 CHEMBL2435890 ZINC96285365 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080276 NC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C34H40N4O3/c35-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-36-21-19-29(20-22-36)38-32(26-7-3-1-4-8-26)24-37(34(38)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H2,35,39)/t32-/m0/s1 YMWWVNRTXMJCON-YTTGMZPUSA-N 50441698 CHEMBL2435880 C-C chemokine receptor type 5 29 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441698&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56647023 175454015 CHEMBL2435880 ZINC96285360 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080277 C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28+/m1/s1 BJXRNPXUTJVEQG-DFHRPNOPSA-N 50441755 CHEMBL2435913 C-C chemokine receptor type 5 28 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72713860 175454072 CHEMBL2435913 ZINC96285468 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080278 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(F)c1 InChI=1S/C31H43FN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) WFKZOGGTBBNGQC-UHFFFAOYSA-N 50441751 CHEMBL2435893 C-C chemokine receptor type 5 26 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711048 175454068 CHEMBL2435893 ZINC96285461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080279 CCN1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 InChI=1S/C28H38ClN5O2/c1-5-32-18-24(22-9-7-6-8-10-22)34(28(32)36)23-12-15-33(16-13-23)20(3)11-14-30-27(35)26-19(2)17-25(29)31-21(26)4/h6-10,17,20,23-24H,5,11-16,18H2,1-4H3,(H,30,35)/t20?,24-/m0/s1 KADVKYIYVIUTGN-JWIMYKKASA-N 50441753 CHEMBL2435902 C-C chemokine receptor type 5 25 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441753&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711506 175454070 CHEMBL2435902 ZINC96285467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080280 O=C1N(C[C@H](N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C33H39N3O2/c37-33-35(28-12-6-2-7-13-28)25-32(27-10-4-1-5-11-27)36(33)29-20-22-34(23-21-29)24-26-16-18-31(19-17-26)38-30-14-8-3-9-15-30/h1,3-5,8-11,14-19,28-29,32H,2,6-7,12-13,20-25H2/t32-/m0/s1 HHCBWVIBTCVDEC-YTTGMZPUSA-N 50441747 CHEMBL2435877 C-C chemokine receptor type 5 23 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73355478 175454064 CHEMBL2435877 ZINC96285451 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080281 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(Br)c1 InChI=1S/C31H43BrN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) ZRBNRFQNYULVHS-UHFFFAOYSA-N 50441687 CHEMBL2435891 C-C chemokine receptor type 5 22 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441687&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714321 175454004 CHEMBL2435891 ZINC96285340 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080282 C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1 BJXRNPXUTJVEQG-DWACAAAGSA-N 50441707 CHEMBL2435883 C-C chemokine receptor type 5 21 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441707&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714076 175454024 CHEMBL2435883 ZINC96285379 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080283 C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28+/m1/s1 BJXRNPXUTJVEQG-DFHRPNOPSA-N 50441755 CHEMBL2435913 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72713860 175454072 CHEMBL2435913 ZINC96285468 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080284 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCC2)C1=O)c1ccccc1 InChI=1S/C30H40ClN5O2/c1-20-18-27(31)33-22(3)28(20)29(37)32-15-12-21(2)34-16-13-25(14-17-34)36-26(23-8-5-4-6-9-23)19-35(30(36)38)24-10-7-11-24/h4-6,8-9,18,21,24-26H,7,10-17,19H2,1-3H3,(H,32,37)/t21?,26-/m0/s1 BUQGFMHFSZHCHF-UQTORGHUSA-N 50441712 CHEMBL2435906 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441712&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59458103 175454029 CHEMBL2435906 ZINC96285390 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080285 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(Cl)c1 InChI=1S/C31H43ClN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) VXUHJSADHJEBBJ-UHFFFAOYSA-N 50441704 CHEMBL2435892 C-C chemokine receptor type 5 20 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441704&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711047 175454021 CHEMBL2435892 ZINC96285372 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080286 CCCN1C[C@H](N(C2CCN(CC2)C(C)CCNC(=O)c2c(C)cc(Cl)nc2C)C1=O)c1ccccc1 InChI=1S/C29H40ClN5O2/c1-5-15-34-19-25(23-9-7-6-8-10-23)35(29(34)37)24-12-16-33(17-13-24)21(3)11-14-31-28(36)27-20(2)18-26(30)32-22(27)4/h6-10,18,21,24-25H,5,11-17,19H2,1-4H3,(H,31,36)/t21?,25-/m0/s1 DAQIALJXQJYJBM-QBGQUKIHSA-N 50441696 CHEMBL2435903 C-C chemokine receptor type 5 19 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441696&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711507 175454013 CHEMBL2435903 ZINC96285355 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080287 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2cncnc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C31H37N5O/c37-31-35(28-9-5-2-6-10-28)22-30(26-7-3-1-4-8-26)36(31)29-15-17-34(18-16-29)21-24-11-13-25(14-12-24)27-19-32-23-33-20-27/h1,3-4,7-8,11-14,19-20,23,28-30H,2,5-6,9-10,15-18,21-22H2/t30-/m0/s1 BJTKGWRIIPEVPM-PMERELPUSA-N 50441754 CHEMBL2435868 C-C chemokine receptor type 5 19 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15950679 175454071 CHEMBL2435868 ZINC34804892 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080288 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cc(C)cc(F)c1 InChI=1S/C32H45FN6O2/c1-21-16-25(18-26(33)17-21)29-19-38(27-8-6-5-7-9-27)32(41)39(29)28-11-14-37(15-12-28)22(2)10-13-34-31(40)30-23(3)35-20-36-24(30)4/h16-18,20,22,27-29H,5-15,19H2,1-4H3,(H,34,40) RABMHVAUKSATIA-UHFFFAOYSA-N 50441697 CHEMBL2435898 C-C chemokine receptor type 5 19 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441697&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711278 175454014 CHEMBL2435898 ZINC96285359 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080289 NC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C34H40N4O3/c35-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-36-21-19-29(20-22-36)38-32(26-7-3-1-4-8-26)24-37(34(38)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H2,35,39)/t32-/m0/s1 YMWWVNRTXMJCON-YTTGMZPUSA-N 50441698 CHEMBL2435880 C-C chemokine receptor type 5 18 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441698&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56647023 175454015 CHEMBL2435880 ZINC96285360 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080290 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2cccnc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C32H38N4O/c37-32-35(29-11-5-2-6-12-29)24-31(27-8-3-1-4-9-27)36(32)30-17-20-34(21-18-30)23-25-13-15-26(16-14-25)28-10-7-19-33-22-28/h1,3-4,7-10,13-16,19,22,29-31H,2,5-6,11-12,17-18,20-21,23-24H2/t31-/m0/s1 KXRQCZCYTQITLM-HKBQPEDESA-N 50441744 CHEMBL2435870 C-C chemokine receptor type 5 18 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712161 175454061 CHEMBL2435870 ZINC96285445 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080291 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2cncnc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C31H37N5O/c37-31-35(28-9-5-2-6-10-28)22-30(26-7-3-1-4-8-26)36(31)29-15-17-34(18-16-29)21-24-11-13-25(14-12-24)27-19-32-23-33-20-27/h1,3-4,7-8,11-14,19-20,23,28-30H,2,5-6,9-10,15-18,21-22H2/t30-/m0/s1 BJTKGWRIIPEVPM-PMERELPUSA-N 50441754 CHEMBL2435868 C-C chemokine receptor type 5 17 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15950679 175454071 CHEMBL2435868 ZINC34804892 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080292 C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1 BJXRNPXUTJVEQG-DWACAAAGSA-N 50441707 CHEMBL2435883 C-C chemokine receptor type 5 17 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441707&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714076 175454024 CHEMBL2435883 ZINC96285379 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080228 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1ccccc1F InChI=1S/C31H43FN6O2/c1-21(13-16-33-30(39)29-22(2)34-20-35-23(29)3)36-17-14-25(15-18-36)38-28(26-11-7-8-12-27(26)32)19-37(31(38)40)24-9-5-4-6-10-24/h7-8,11-12,20-21,24-25,28H,4-6,9-10,13-19H2,1-3H3,(H,33,39) KJRYGRVOCLJMQX-UHFFFAOYSA-N 50441741 CHEMBL2435888 C-C chemokine receptor type 5 342 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714318 175454058 CHEMBL2435888 ZINC96285442 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080229 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)N2CCOCC2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C31H42N4O2/c36-31-34(28-9-5-2-6-10-28)24-30(26-7-3-1-4-8-26)35(31)29-15-17-32(18-16-29)23-25-11-13-27(14-12-25)33-19-21-37-22-20-33/h1,3-4,7-8,11-14,28-30H,2,5-6,9-10,15-24H2/t30-/m0/s1 ZAEDOYHNFHFZDK-PMERELPUSA-N 50441742 CHEMBL2435873 C-C chemokine receptor type 5 336 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441742&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712373 175454059 CHEMBL2435873 ZINC96285443 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080298 CNC(=O)c1ccc(CN2CCC(CC2)N2[C@@H](CN(C3CCCCC3)C2=O)c2ccccc2)cc1 InChI=1S/C29H38N4O2/c1-30-28(34)24-14-12-22(13-15-24)20-31-18-16-26(17-19-31)33-27(23-8-4-2-5-9-23)21-32(29(33)35)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25-27H,3,6-7,10-11,16-21H2,1H3,(H,30,34)/t27-/m0/s1 RZSIDAVYRACEDW-MHZLTWQESA-N 50441749 CHEMBL2435876 C-C chemokine receptor type 5 16 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712597 175454066 CHEMBL2435876 ZINC96285453 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080299 OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C33H37N3O5/c37-32(38)26-8-12-30(13-9-26)41-29-10-6-24(7-11-29)22-34-18-14-28(15-19-34)36-31(25-4-2-1-3-5-25)23-35(33(36)39)27-16-20-40-21-17-27/h1-13,27-28,31H,14-23H2,(H,37,38)/t31-/m0/s1 RORLXLUBFWDMQI-HKBQPEDESA-N 50441756 CHEMBL2435849 C-C chemokine receptor type 5 16 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16041594 175454073 CHEMBL2435849 ZINC59635754 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080300 CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C36H44N4O3/c1-37(2)35(41)29-15-19-33(20-16-29)43-32-17-13-27(14-18-32)25-38-23-21-31(22-24-38)40-34(28-9-5-3-6-10-28)26-39(36(40)42)30-11-7-4-8-12-30/h3,5-6,9-10,13-20,30-31,34H,4,7-8,11-12,21-26H2,1-2H3/t34-/m0/s1 FYFQDKSOZLVEKB-UMSFTDKQSA-N 50441695 CHEMBL2435879 C-C chemokine receptor type 5 16 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441695&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346389 175454012 CHEMBL2435879 ZINC96285353 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080301 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)N2CCOCC2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C31H42N4O2/c36-31-34(28-9-5-2-6-10-28)24-30(26-7-3-1-4-8-26)35(31)29-15-17-32(18-16-29)23-25-11-13-27(14-12-25)33-19-21-37-22-20-33/h1,3-4,7-8,11-14,28-30H,2,5-6,9-10,15-24H2/t30-/m0/s1 ZAEDOYHNFHFZDK-PMERELPUSA-N 50441742 CHEMBL2435873 C-C chemokine receptor type 5 15 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441742&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712373 175454059 CHEMBL2435873 ZINC96285443 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080302 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(F)c1 InChI=1S/C31H43FN6O2/c1-21(12-15-33-30(39)29-22(2)34-20-35-23(29)3)36-16-13-27(14-17-36)38-28(24-8-7-9-25(32)18-24)19-37(31(38)40)26-10-5-4-6-11-26/h7-9,18,20-21,26-28H,4-6,10-17,19H2,1-3H3,(H,33,39) WFKZOGGTBBNGQC-UHFFFAOYSA-N 50441751 CHEMBL2435893 C-C chemokine receptor type 5 15 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711048 175454068 CHEMBL2435893 ZINC96285461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080303 CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O3/c1-22-19-29(33)35-24(3)30(22)31(39)34-14-9-23(2)36-15-10-27(11-16-36)38-28(26-7-5-4-6-8-26)21-37(32(38)40)20-25-12-17-41-18-13-25/h4-8,19,23,25,27-28H,9-18,20-21H2,1-3H3,(H,34,39)/t23?,28-/m0/s1 UPDSQDKCTCPMPO-WOKNPCPGSA-N 50441725 CHEMBL2435909 C-C chemokine receptor type 5 15 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441725&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72711740 175454042 CHEMBL2435909 ZINC96285403 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080304 C[C@@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28-/m0/s1 BJXRNPXUTJVEQG-DWACAAAGSA-N 50441707 CHEMBL2435883 C-C chemokine receptor type 5 14 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441707&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714076 175454024 CHEMBL2435883 ZINC96285379 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080305 C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C32H44ClN5O2/c1-22-20-29(33)35-24(3)30(22)31(39)34-17-14-23(2)36-18-15-27(16-19-36)38-28(25-10-6-4-7-11-25)21-37(32(38)40)26-12-8-5-9-13-26/h4,6-7,10-11,20,23,26-28H,5,8-9,12-19,21H2,1-3H3,(H,34,39)/t23-,28+/m1/s1 FPBBMOPREIDYGA-LXFBAYGMSA-N 50441720 CHEMBL2435885 C-C chemokine receptor type 5 14 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441720&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714078 175454037 CHEMBL2435885 ZINC96285397 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080306 C[C@H](CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1[C@@H](CN(C2CCCCC2)C1=O)c1ccccc1 InChI=1S/C31H44N6O2/c1-22(14-17-32-30(38)29-23(2)33-21-34-24(29)3)35-18-15-27(16-19-35)37-28(25-10-6-4-7-11-25)20-36(31(37)39)26-12-8-5-9-13-26/h4,6-7,10-11,21-22,26-28H,5,8-9,12-20H2,1-3H3,(H,32,38)/t22-,28+/m1/s1 BJXRNPXUTJVEQG-DFHRPNOPSA-N 50441755 CHEMBL2435913 C-C chemokine receptor type 5 14 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72713860 175454072 CHEMBL2435913 ZINC96285468 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080307 O=C1N(C[C@H](N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C33H39N3O2/c37-33-35(28-12-6-2-7-13-28)25-32(27-10-4-1-5-11-27)36(33)29-20-22-34(23-21-29)24-26-16-18-31(19-17-26)38-30-14-8-3-9-15-30/h1,3-5,8-11,14-19,28-29,32H,2,6-7,12-13,20-25H2/t32-/m0/s1 HHCBWVIBTCVDEC-YTTGMZPUSA-N 50441747 CHEMBL2435877 C-C chemokine receptor type 5 13 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73355478 175454064 CHEMBL2435877 ZINC96285451 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080308 OC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C34H39N3O4/c38-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-35-21-19-29(20-22-35)37-32(26-7-3-1-4-8-26)24-36(34(37)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H,38,39)/t32-/m0/s1 QKHYIMUJIVRLOX-YTTGMZPUSA-N 50441700 CHEMBL2435881 C-C chemokine receptor type 5 13 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441700&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 56647076 175454017 CHEMBL2435881 ZINC96285361 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080309 OC(=O)c1cccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)c1 InChI=1S/C34H39N3O4/c38-33(39)27-10-7-13-31(22-27)41-30-16-14-25(15-17-30)23-35-20-18-29(19-21-35)37-32(26-8-3-1-4-9-26)24-36(34(37)40)28-11-5-2-6-12-28/h1,3-4,7-10,13-17,22,28-29,32H,2,5-6,11-12,18-21,23-24H2,(H,38,39)/t32-/m0/s1 VEFVDNGKAXKYKZ-YTTGMZPUSA-N 50441748 CHEMBL2435846 C-C chemokine receptor type 5 13 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73352463 175454065 CHEMBL2435846 ZINC96285452 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080310 O=C1N(C[C@H](N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1)c1ccccc1)C1CCCCC1 InChI=1S/C33H39N3O/c37-33-35(30-14-8-3-9-15-30)25-32(29-12-6-2-7-13-29)36(33)31-20-22-34(23-21-31)24-26-16-18-28(19-17-26)27-10-4-1-5-11-27/h1-2,4-7,10-13,16-19,30-32H,3,8-9,14-15,20-25H2/t32-/m0/s1 PGDRVVKGQXFTBB-YTTGMZPUSA-N 50441739 CHEMBL2435867 C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72712159 175454056 CHEMBL2435867 ZINC96285434 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080311 CC(CCNC(=O)c1c(C)ncnc1C)N1CCC(CC1)N1C(CN(C2CCCCC2)C1=O)c1cccc(C)c1 InChI=1S/C32H46N6O2/c1-22-9-8-10-26(19-22)29-20-37(27-11-6-5-7-12-27)32(40)38(29)28-14-17-36(18-15-28)23(2)13-16-33-31(39)30-24(3)34-21-35-25(30)4/h8-10,19,21,23,27-29H,5-7,11-18,20H2,1-4H3,(H,33,39) WZRAMHXCXACTHM-UHFFFAOYSA-N 50441701 CHEMBL2435890 C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441701&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72714320 175454018 CHEMBL2435890 ZINC96285365 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080312 CNC(=O)c1ccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)cc1 InChI=1S/C35H42N4O3/c1-36-34(40)28-14-18-32(19-15-28)42-31-16-12-26(13-17-31)24-37-22-20-30(21-23-37)39-33(27-8-4-2-5-9-27)25-38(35(39)41)29-10-6-3-7-11-29/h2,4-5,8-9,12-19,29-30,33H,3,6-7,10-11,20-25H2,1H3,(H,36,40)/t33-/m0/s1 UYTYPQVLRVEZRK-XIFFEERXSA-N 50441688 CHEMBL2435878 C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm401101p 10.7270/Q2445NX3 24090135 Skerlj, R; Bridger, G; Zhou, Y; Bourque, E; McEachern, E; Metz, M; Harwig, C; Li, TS; Yang, W; Bogucki, D; Zhu, Y; Langille, J; Veale, D; Ba, T; Bey, M; Baird, I; Kaller, A; Krumpak, M; Leitch, D; Satori, M; Vocadlo, K; Guay, D; Nan, S; Yee, H; Crawford, J; Chen, G; Wilson, T; Carpenter, B; Gauthier, D; Macfarland, R; Mosi, R; Bodart, V; Wong, R; Fricker, S; Schols, D Sanofi http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441688&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346388 175454005 CHEMBL2435878 ZINC96285341 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080522 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 InChI=1S/C28H33N5O3/c1-19(2)36-27-9-6-23(16-25(27)32-28(35)26-17-29-12-13-30-26)22-10-14-33(15-11-22)18-21-4-7-24(8-5-21)31-20(3)34/h4-9,12-13,16-17,19,22H,10-11,14-15,18H2,1-3H3,(H,31,34)(H,32,35) NHSHBNCIDIBXJR-UHFFFAOYSA-N 50441861 CHEMBL2436718 C-C chemokine receptor type 5 88100 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441861&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73349500 175454178 CHEMBL2436718 ZINC96285571 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080523 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(N)cc2)CC1 InChI=1S/C26H31N5O2/c1-18(2)33-25-8-5-21(15-23(25)30-26(32)24-16-28-11-12-29-24)20-9-13-31(14-10-20)17-19-3-6-22(27)7-4-19/h3-8,11-12,15-16,18,20H,9-10,13-14,17,27H2,1-2H3,(H,30,32) CDFFPEKGYQQMHO-UHFFFAOYSA-N 50441862 CHEMBL2436717 C-C chemokine receptor type 5 77800 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441862&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73355549 175454179 CHEMBL2436717 ZINC96285572 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080524 CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 InChI=1S/C26H29N5O4/c1-18(2)35-25-8-5-21(15-23(25)29-26(32)24-16-27-11-12-28-24)20-9-13-30(14-10-20)17-19-3-6-22(7-4-19)31(33)34/h3-8,11-12,15-16,18,20H,9-10,13-14,17H2,1-2H3,(H,29,32) GGADRAUNTVDAND-UHFFFAOYSA-N 50441863 CHEMBL2436716 C-C chemokine receptor type 5 65700 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441863&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73349499 175454180 CHEMBL2436716 ZINC96285573 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080525 CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 InChI=1S/C30H39N5O2/c1-5-35(6-2)26-10-7-23(8-11-26)21-34-17-13-24(14-18-34)25-9-12-29(37-22(3)4)27(19-25)33-30(36)28-20-31-15-16-32-28/h7-12,15-16,19-20,22,24H,5-6,13-14,17-18,21H2,1-4H3,(H,33,36) NKIAHRJDXIIUGO-UHFFFAOYSA-N 50441864 CHEMBL2436715 C-C chemokine receptor type 5 61000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441864&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73352529 175454181 CHEMBL2436715 ZINC96285574 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080526 CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 InChI=1S/C30H35N3O3/c1-21(2)36-29-14-11-26(19-28(29)32-30(35)25-7-5-4-6-8-25)24-15-17-33(18-16-24)20-23-9-12-27(13-10-23)31-22(3)34/h4-14,19,21,24H,15-18,20H2,1-3H3,(H,31,34)(H,32,35) TZSYIHJECZFBKV-UHFFFAOYSA-N 50441865 CHEMBL2436714 C-C chemokine receptor type 5 92200 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441865&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73352528 175454182 CHEMBL2436714 ZINC96285575 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080527 CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1 InChI=1S/C28H33N3O2/c1-20(2)33-27-13-10-24(18-26(27)30-28(32)23-6-4-3-5-7-23)22-14-16-31(17-15-22)19-21-8-11-25(29)12-9-21/h3-13,18,20,22H,14-17,19,29H2,1-2H3,(H,30,32) SCYCEYBZOOCJHQ-UHFFFAOYSA-N 50441866 CHEMBL2436713 C-C chemokine receptor type 5 66200 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441866&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73354018 175454183 CHEMBL2436713 ZINC96285576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080528 CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 InChI=1S/C28H31N3O4/c1-20(2)35-27-13-10-24(18-26(27)29-28(32)23-6-4-3-5-7-23)22-14-16-30(17-15-22)19-21-8-11-25(12-9-21)31(33)34/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,29,32) KPOVAZLKELMBJH-UHFFFAOYSA-N 50441867 CHEMBL2436712 C-C chemokine receptor type 5 45000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441867&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73349498 175454184 CHEMBL2436712 ZINC96285577 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080529 CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC(C)C)c(NC(=O)c3ccccc3)c2)cc1 InChI=1S/C32H41N3O2/c1-5-35(6-2)29-15-12-25(13-16-29)23-34-20-18-26(19-21-34)28-14-17-31(37-24(3)4)30(22-28)33-32(36)27-10-8-7-9-11-27/h7-17,22,24,26H,5-6,18-21,23H2,1-4H3,(H,33,36) FLPXKMIPOMYING-UHFFFAOYSA-N 50441868 CHEMBL2436711 C-C chemokine receptor type 5 138000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441868&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73351054 175454185 CHEMBL2436711 ZINC96285578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080530 COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 InChI=1S/C26H29N5O3/c1-18(32)29-22-6-3-19(4-7-22)17-31-13-9-20(10-14-31)21-5-8-25(34-2)23(15-21)30-26(33)24-16-27-11-12-28-24/h3-8,11-12,15-16,20H,9-10,13-14,17H2,1-2H3,(H,29,32)(H,30,33) GJRLQXOSHNCWHF-UHFFFAOYSA-N 50441869 CHEMBL2436817 C-C chemokine receptor type 5 59000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441869&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73352534 175454186 CHEMBL2436817 ZINC96285579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080531 CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)N(CC)CC)CC1 InChI=1S/C31H39N3O2/c1-4-34(5-2)28-15-12-24(13-16-28)23-33-20-18-25(19-21-33)27-14-17-30(36-6-3)29(22-27)32-31(35)26-10-8-7-9-11-26/h7-17,22,25H,4-6,18-21,23H2,1-3H3,(H,32,35) HOTPKSLREFUZRO-UHFFFAOYSA-N 50441870 CHEMBL2436818 C-C chemokine receptor type 5 64000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441870&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73357100 175454187 CHEMBL2436818 ZINC96285580 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080532 COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(N)cc2)CC1 InChI=1S/C24H27N5O2/c1-31-23-7-4-19(14-21(23)28-24(30)22-15-26-10-11-27-22)18-8-12-29(13-9-18)16-17-2-5-20(25)6-3-17/h2-7,10-11,14-15,18H,8-9,12-13,16,25H2,1H3,(H,28,30) ZVSSTHGPTWJGCV-UHFFFAOYSA-N 50441871 CHEMBL2436816 C-C chemokine receptor type 5 38800 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441871&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73355553 175454188 CHEMBL2436816 ZINC96285581 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080533 CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 InChI=1S/C25H27N5O4/c1-2-34-24-8-5-20(15-22(24)28-25(31)23-16-26-11-12-27-23)19-9-13-29(14-10-19)17-18-3-6-21(7-4-18)30(32)33/h3-8,11-12,15-16,19H,2,9-10,13-14,17H2,1H3,(H,28,31) VURDNTUYRFUWGF-UHFFFAOYSA-N 50441872 CHEMBL2436823 C-C chemokine receptor type 5 61000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441872&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346461 175454189 CHEMBL2436823 ZINC96285582 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080534 CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(N)cc2)CC1 InChI=1S/C25H29N5O2/c1-2-32-24-8-5-20(15-22(24)29-25(31)23-16-27-11-12-28-23)19-9-13-30(14-10-19)17-18-3-6-21(26)7-4-18/h3-8,11-12,15-16,19H,2,9-10,13-14,17,26H2,1H3,(H,29,31) WFHZYBSNVSUVEK-UHFFFAOYSA-N 50441873 CHEMBL2436824 C-C chemokine receptor type 5 43500 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441873&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73355554 175454190 CHEMBL2436824 ZINC96285583 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080535 CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 InChI=1S/C27H31N5O3/c1-3-35-26-9-6-22(16-24(26)31-27(34)25-17-28-12-13-29-25)21-10-14-32(15-11-21)18-20-4-7-23(8-5-20)30-19(2)33/h4-9,12-13,16-17,21H,3,10-11,14-15,18H2,1-2H3,(H,30,33)(H,31,34) QGAIBJYYYSALEK-UHFFFAOYSA-N 50441874 CHEMBL2436825 C-C chemokine receptor type 5 47000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346462 175454191 CHEMBL2436825 ZINC96285584 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080536 CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 InChI=1S/C27H29N3O4/c1-2-34-26-13-10-23(18-25(26)28-27(31)22-6-4-3-5-7-22)21-14-16-29(17-15-21)19-20-8-11-24(12-9-20)30(32)33/h3-13,18,21H,2,14-17,19H2,1H3,(H,28,31) XWASUCRWVKVQKM-UHFFFAOYSA-N 50441875 CHEMBL2436819 C-C chemokine receptor type 5 28000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441875&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73351059 175454192 CHEMBL2436819 ZINC96285585 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080537 CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1 InChI=1S/C27H31N3O2/c1-2-32-26-13-10-23(18-25(26)29-27(31)22-6-4-3-5-7-22)21-14-16-30(17-15-21)19-20-8-11-24(28)12-9-20/h3-13,18,21H,2,14-17,19,28H2,1H3,(H,29,31) FTEKPBHSOOUJIW-UHFFFAOYSA-N 50441876 CHEMBL2436820 C-C chemokine receptor type 5 63000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441876&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73347961 175454193 CHEMBL2436820 ZINC96285586 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080538 CCOc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 InChI=1S/C29H33N3O3/c1-3-35-28-14-11-25(19-27(28)31-29(34)24-7-5-4-6-8-24)23-15-17-32(18-16-23)20-22-9-12-26(13-10-22)30-21(2)33/h4-14,19,23H,3,15-18,20H2,1-2H3,(H,30,33)(H,31,34) OSYAQJMQSUSHTK-UHFFFAOYSA-N 50441877 CHEMBL2436821 C-C chemokine receptor type 5 115000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441877&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346460 175454194 CHEMBL2436821 ZINC96285587 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080539 CCOc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)N(CC)CC)CC1 InChI=1S/C29H37N5O2/c1-4-34(5-2)25-10-7-22(8-11-25)21-33-17-13-23(14-18-33)24-9-12-28(36-6-3)26(19-24)32-29(35)27-20-30-15-16-31-27/h7-12,15-16,19-20,23H,4-6,13-14,17-18,21H2,1-3H3,(H,32,35) OUHNIKHVHCIKKY-UHFFFAOYSA-N 50441878 CHEMBL2436822 C-C chemokine receptor type 5 51800 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441878&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73351060 175454195 CHEMBL2436822 ZINC96285588 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080540 COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 InChI=1S/C26H27N3O4/c1-33-25-12-9-22(17-24(25)27-26(30)21-5-3-2-4-6-21)20-13-15-28(16-14-20)18-19-7-10-23(11-8-19)29(31)32/h2-12,17,20H,13-16,18H2,1H3,(H,27,30) YWZBKJRTJCXYQT-UHFFFAOYSA-N 50441879 CHEMBL2436720 C-C chemokine receptor type 5 28700 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441879&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73355550 175454196 CHEMBL2436720 ZINC96285589 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080541 CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 InChI=1S/C30H37N3O2/c1-4-33(5-2)27-14-11-23(12-15-27)22-32-19-17-24(18-20-32)26-13-16-29(35-3)28(21-26)31-30(34)25-9-7-6-8-10-25/h6-16,21,24H,4-5,17-20,22H2,1-3H3,(H,31,34) MPMKMFGIGDPBBS-UHFFFAOYSA-N 50441880 CHEMBL2436719 C-C chemokine receptor type 5 90000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441880&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73351055 175454197 CHEMBL2436719 ZINC96285590 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080542 COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1 InChI=1S/C26H29N3O2/c1-31-25-12-9-22(17-24(25)28-26(30)21-5-3-2-4-6-21)20-13-15-29(16-14-20)18-19-7-10-23(27)11-8-19/h2-12,17,20H,13-16,18,27H2,1H3,(H,28,30) PKMRXANSPAEPRV-UHFFFAOYSA-N 50441881 CHEMBL2436721 C-C chemokine receptor type 5 77000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441881&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73347956 175454198 CHEMBL2436721 ZINC96285591 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080543 COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(NC(C)=O)cc2)CC1 InChI=1S/C28H31N3O3/c1-20(32)29-25-11-8-21(9-12-25)19-31-16-14-22(15-17-31)24-10-13-27(34-2)26(18-24)30-28(33)23-6-4-3-5-7-23/h3-13,18,22H,14-17,19H2,1-2H3,(H,29,32)(H,30,33) KQUVWNOILRBMSY-UHFFFAOYSA-N 50441882 CHEMBL2436722 C-C chemokine receptor type 5 70800 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441882&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73346454 175454199 CHEMBL2436722 ZINC96285592 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080544 COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 InChI=1S/C24H25N5O4/c1-33-23-7-4-19(14-21(23)27-24(30)22-15-25-10-11-26-22)18-8-12-28(13-9-18)16-17-2-5-20(6-3-17)29(31)32/h2-7,10-11,14-15,18H,8-9,12-13,16H2,1H3,(H,27,30) MIWHEUSUNJLFSA-UHFFFAOYSA-N 50441883 CHEMBL2436815 C-C chemokine receptor type 5 73000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441883&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73355552 175454200 CHEMBL2436815 ZINC96285593 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51080545 CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC)c(NC(=O)c3cnccn3)c2)cc1 InChI=1S/C28H35N5O2/c1-4-33(5-2)24-9-6-21(7-10-24)20-32-16-12-22(13-17-32)23-8-11-27(35-3)25(18-23)31-28(34)26-19-29-14-15-30-26/h6-11,14-15,18-19,22H,4-5,12-13,16-17,20H2,1-3H3,(H,31,34) TYLWQVNABXQUNI-UHFFFAOYSA-N 50441884 CHEMBL2436814 C-C chemokine receptor type 5 56000 ChEMBL 10.1016/j.ejmech.2013.09.004 10.7270/Q26W9CJK 24095757 Arnatt, CK; Zaidi, SA; Zhang, Z; Li, G; Richardson, AC; Ware, JL; Zhang, Y Virginia Commonwealth University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441884&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 73349506 175454201 CHEMBL2436814 ZINC96285594 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977316 C[C@H]1C[C@@H](C[C@@H](C)N1CC[C@H](NC(=O)C1CCC1)c1ccccc1)n1c(C)nc2ccccc12 InChI=1S/C29H38N4O/c1-20-18-25(33-22(3)30-27-14-7-8-15-28(27)33)19-21(2)32(20)17-16-26(23-10-5-4-6-11-23)31-29(34)24-12-9-13-24/h4-8,10-11,14-15,20-21,24-26H,9,12-13,16-19H2,1-3H3,(H,31,34)/t20-,21+,25-,26-/m0/s1 RIRFFSAFKTYPCV-PJTSNVSCSA-N 50400787 CHEMBL2203613 C-C chemokine receptor type 5 8 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400787&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11641131 163349811 CHEMBL2203613 ZINC35984994 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977317 Cc1nc2ccccc2n1[C@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1 PIYDNEWDZZFKKO-QYOOZWMWSA-N 50400788 CHEMBL2203612 C-C chemokine receptor type 5 9 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400788&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11626984 163349812 CHEMBL2203612 ZINC35952745 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977318 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24-,25+,26-/m0/s1 PIYDNEWDZZFKKO-SSUZURRFSA-N 50400789 CHEMBL2203621 C-C chemokine receptor type 5 39.7 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400789&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11626984 163349813 CHEMBL2203621 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977319 Cc1nc2ccccc2n1[C@H]1C[C@@H]2CSC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C29H36N4OS/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1 FMZALRQZQUKSDO-QYOOZWMWSA-N 50400790 CHEMBL2203620 C-C chemokine receptor type 5 21.5 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400790&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11656080 163349814 CHEMBL2203620 ZINC78915741 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977320 Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 InChI=1S/C28H36N4O/c1-21-29-25-13-6-7-14-26(25)32(21)28(2)16-19-31(20-17-28)18-15-24(22-9-4-3-5-10-22)30-27(33)23-11-8-12-23/h3-7,9-10,13-14,23-24H,8,11-12,15-20H2,1-2H3,(H,30,33)/t24-/m0/s1 LKGIWTVSYFHATA-DEOSSOPVSA-N 50400791 CHEMBL2203619 C-C chemokine receptor type 5 1.2 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400791&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11525100 163349815 CHEMBL2203619 ZINC95559485 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977321 Cc1nc2ccccc2n1C1[C@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]12 InChI=1S/C27H32N4O/c1-18-28-24-12-5-6-13-25(24)31(18)26-21-16-30(17-22(21)26)15-14-23(19-8-3-2-4-9-19)29-27(32)20-10-7-11-20/h2-6,8-9,12-13,20-23,26H,7,10-11,14-17H2,1H3,(H,29,32)/t21-,22+,23-,26?/m0/s1 ABQNQYIWXKWYGD-CAQDGQBVSA-N 50400792 CHEMBL2203618 C-C chemokine receptor type 5 17 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400792&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11690481 163349816 CHEMBL2203618 ZINC38253904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977322 Cc1nc2ccccc2n1C1CN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)C1 InChI=1S/C25H30N4O/c1-18-26-23-12-5-6-13-24(23)29(18)21-16-28(17-21)15-14-22(19-8-3-2-4-9-19)27-25(30)20-10-7-11-20/h2-6,8-9,12-13,20-22H,7,10-11,14-17H2,1H3,(H,27,30)/t22-/m0/s1 MSPLUIUYICJRLA-QFIPXVFZSA-N 50400793 CHEMBL2203617 C-C chemokine receptor type 5 >1000 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400793&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11639993 163349817 CHEMBL2203617 ZINC35983723 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977323 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C29H36N4O/c1-20-30-27-12-5-6-13-28(27)33(20)25-18-23-14-15-24(19-25)32(23)17-16-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25+,26-/m0/s1 XZCJCPMLMYYDQU-QUMGSSFMSA-N 50400794 CHEMBL2203616 C-C chemokine receptor type 5 6 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400794&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11503459 163349818 CHEMBL2203616 ZINC13916820 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977324 Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 InChI=1S/C29H36N4O/c1-20-30-27-12-5-6-13-28(27)33(20)25-18-23-14-15-24(19-25)32(23)17-16-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1 XZCJCPMLMYYDQU-QYOOZWMWSA-N 50400795 CHEMBL2203615 C-C chemokine receptor type 5 2 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400795&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11503459 163349819 CHEMBL2203615 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50977326 Cc1nc2ccccc2n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 InChI=1S/C27H34N4O/c1-20-28-25-12-5-6-13-26(25)31(20)23-14-17-30(18-15-23)19-16-24(21-8-3-2-4-9-21)29-27(32)22-10-7-11-22/h2-6,8-9,12-13,22-24H,7,10-11,14-19H2,1H3,(H,29,32)/t24-/m0/s1 ALDSFVOFVJGKIF-DEOSSOPVSA-N 50400796 CHEMBL2203614 C-C chemokine receptor type 5 20 ChEMBL 10.1111/j.1747-0285.2006.00376.x 10.7270/Q2D50P44 16629828 Armour, DR; de Groot, MJ; Price, DA; Stammen, BL; Wood, A; Perros, M; Burt, C TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50400796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50400796&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15958353 163349820 CHEMBL2203614 ZINC34820528 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986273 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C31H45N5O2/c1-2-18-36(31-32-16-9-17-33-31)27-14-19-34(20-15-27)21-26-22-35(23-28(26)24-10-5-3-6-11-24)29(30(37)38)25-12-7-4-8-13-25/h3,5-6,9-11,16-17,25-29H,2,4,7-8,12-15,18-23H2,1H3,(H,37,38)/t26-,28+,29+/m0/s1 PBQIQXDKWBWMSH-WIIGKZCBSA-N 50123142 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::(R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL137038 C-C chemokine receptor type 5 33 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123142&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505880 104015725 CHEMBL137038 ZINC27436544 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986276 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)N2CCCC2)CC1)c1ccccn1 InChI=1S/C29H41N5O/c1-2-16-34(28-12-6-7-15-30-28)26-13-19-31(20-14-26)21-25-22-33(29(35)32-17-8-9-18-32)23-27(25)24-10-4-3-5-11-24/h3-7,10-12,15,25-27H,2,8-9,13-14,16-23H2,1H3/t25-,27+/m0/s1 VFWZVVDVMDAVKC-AHKZPQOWSA-N 50123146 ((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)(pyrrolidin-1-yl)methanone::CHEMBL137524::{(3S,4S)-3-Phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-pyrrolidin-1-yl-methanone C-C chemokine receptor type 5 300 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123146&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505866 104015729 CHEMBL137524 ZINC13487338 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978855 Cc1ccnc2c1ccc1cccnc21 InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3 NAZZKEZTSOOCSZ-UHFFFAOYSA-N 50401346 CHEMBL316589::cid_93149 C-C chemokine receptor type 5 1995.26 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 93149 163350370 CHEMBL316589 ZINC00120467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978856 Cc1cnc2c(ccc3cccnc23)c1 InChI=1S/C13H10N2/c1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9/h2-8H,1H3 PBIOPYCIDCAUBZ-UHFFFAOYSA-N 50401352 CHEMBL2205810 C-C chemokine receptor type 5 1995.26 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401352&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15783796 163350376 CHEMBL2205810 ZINC34743784 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978857 Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3 NPAXPTHCUCUHPT-UHFFFAOYSA-N 50401347 CHEMBL99384 C-C chemokine receptor type 5 1000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401347&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 74265 163350371 CHEMBL99384 ZINC00119661 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978858 Cc1ccnc2c1ccc1c(C)ccnc21 InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3 JIVLDFFWTQYGSR-UHFFFAOYSA-N 50401348 CHEMBL593442 C-C chemokine receptor type 5 2511.89 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search DPT 1I53 72792 163350372 CHEMBL593442 DB02586 ZINC00120461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978859 Cc1cnc2c(ccc3cc(C)cnc23)c1 InChI=1S/C14H12N2/c1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9/h3-8H,1-2H3 KSACKJIWQPGKMJ-UHFFFAOYSA-N 50401353 CHEMBL2205809 C-C chemokine receptor type 5 1995.26 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401353&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 12987698 163350377 CHEMBL2205809 ZINC39365566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978860 Cc1ccc2ccc3ccc(C)nc3c2n1 InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3 IYRGXJIJGHOCFS-UHFFFAOYSA-N 64740 2,9-dimethyl-1,10-phenanthroline::MLS001194484::SMR000555011::cid_65237 C-C chemokine receptor type 5 63095.73 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=64740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=64740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 65237 252643719 ZINC00119332 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978861 COc1ccnc(c1)-c1cc(OC)ccn1 InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3 IMEVSAIFJKKDAP-UHFFFAOYSA-N 50401349 CHEMBL2205808 C-C chemokine receptor type 5 19952.62 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401349&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 2733927 163350373 CHEMBL2205808 ZINC00403962 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978862 Cc1ccnc(c1)-c1cc(C)ccn1 InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3 NBPGPQJFYXNFKN-UHFFFAOYSA-N 50401350 CHEMBL101165 C-C chemokine receptor type 5 12589.25 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401350&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 14338 163350374 CHEMBL101165 ZINC00120136 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978863 Cc1ccc(nc1)-c1ccc(C)cn1 InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3 PTRATZCAGVBFIQ-UHFFFAOYSA-N 50401351 CHEMBL2205807 C-C chemokine receptor type 5 2511.89 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401351&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search EI3 5ARD,5ARB,5ARC 15664 163350375 CHEMBL2205807 ZINC00403335 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986648 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2[nH]c(Cc3ccccc3)nc2Cl)[C@H](C1)c1cccc(F)c1 InChI=1S/C32H38ClFN4O2/c33-31-30(35-29(36-31)16-21-5-2-1-3-6-21)23-11-13-37(14-12-23)18-25-19-38(28(32(39)40)15-22-9-10-22)20-27(25)24-7-4-8-26(34)17-24/h1-8,17,22-23,25,27-28H,9-16,18-20H2,(H,35,36)(H,39,40)/t25-,27+,28+/m0/s1 PWRLSGHPANERCD-KJYTXNCISA-N 50404272 CHEMBL2112552 C-C chemokine receptor type 5 0.700000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404272&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010279 163353296 CHEMBL2112552 ZINC42893549 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986649 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(30(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)31-21-35-32(40-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,30+,33+/m0/s1 HMDJSTVCSNOIAW-AARCXHMLSA-N 50249465 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL480503 C-C chemokine receptor type 5 0.290000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249465&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010264 104103764 CHEMBL480503 ZINC49867721 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986650 CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C35H44FN3O3/c1-2-31-34(42-33(37-31)19-25-8-4-3-5-9-25)26-14-16-38(17-15-26)21-28-22-39(32(35(40)41)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,40,41)/t28-,30+,32+/m0/s1 DUPJTNSPHJHTFW-QTKNLHBISA-N 50404273 CHEMBL2112556 C-C chemokine receptor type 5 0.890000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404273&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010277 163353297 CHEMBL2112556 ZINC27088376 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986651 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2[nH]c(Cc3ccccc3)nc2Cl)[C@H](C1)c1cccc(F)c1 InChI=1S/C33H40ClFN4O2/c34-32-31(36-30(37-32)17-23-6-2-1-3-7-23)24-12-14-38(15-13-24)19-26-20-39(29(33(40)41)16-22-8-4-9-22)21-28(26)25-10-5-11-27(35)18-25/h1-3,5-7,10-11,18,22,24,26,28-29H,4,8-9,12-17,19-21H2,(H,36,37)(H,40,41)/t26-,28+,29+/m0/s1 LAMVCVCMNGYVFR-WIIGKZCBSA-N 50404274 CHEMBL2112557 C-C chemokine receptor type 5 0.600000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404274&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010276 163353298 CHEMBL2112557 ZINC58609175 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986652 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 InChI=1S/C33H42N4O2/c38-33(39)31(18-24-10-7-11-24)37-22-28(29(23-37)26-12-5-2-6-13-26)21-36-16-14-27(15-17-36)30-20-34-32(35-30)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-29,31H,7,10-11,14-19,21-23H2,(H,34,35)(H,38,39)/t28-,29+,31+/m0/s1 IBDZCUWDCUNLFP-ILJQZKEFSA-N 50404275 CHEMBL2112559 C-C chemokine receptor type 5 0.380000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404275&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010268 163353299 CHEMBL2112559 ZINC95607386 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986653 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(Cc3ccccc3)n2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-22-29(30(23-37)26-12-6-2-7-13-26)21-36-18-16-27(17-19-36)31-24-40-32(35-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,24,27-30,33H,3,8-9,14-23H2,(H,38,39)/t29-,30+,33+/m0/s1 HSGMOZQNCPRWOD-AARCXHMLSA-N 50249303 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-4-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL481080 C-C chemokine receptor type 5 1.3 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249303&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010262 104103639 CHEMBL481080 ZINC49867664 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986654 CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C31H40N4O2/c1-22(2)30(31(36)37)35-20-26(27(21-35)24-11-7-4-8-12-24)19-34-15-13-25(14-16-34)28-18-32-29(33-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,32,33)(H,36,37)/t26-,27+,30+/m0/s1 FSIBUKMTKYVVLL-PVTPYKNESA-N 50249332 (R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::CHEMBL471765 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249332&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010266 104103659 CHEMBL471765 ZINC33503566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986655 CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C35H45FN4O2/c1-2-31-34(38-33(37-31)19-25-8-4-3-5-9-25)26-14-16-39(17-15-26)21-28-22-40(32(35(41)42)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,37,38)(H,41,42)/t28-,30+,32+/m0/s1 DMVQIIYWBFYARK-QTKNLHBISA-N 50404276 CHEMBL2112558 C-C chemokine receptor type 5 0.570000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404276&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010275 163353300 CHEMBL2112558 ZINC27087584 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986656 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc([nH]2)-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H42N4O2/c38-33(39)31(26-12-6-2-7-13-26)37-22-28(29(23-37)24-10-4-1-5-11-24)21-36-18-16-25(17-19-36)30-20-34-32(35-30)27-14-8-3-9-15-27/h1,3-5,8-11,14-15,20,25-26,28-29,31H,2,6-7,12-13,16-19,21-23H2,(H,34,35)(H,38,39)/t28-,29+,31+/m0/s1 QGYNEQRVRFAHAC-ILJQZKEFSA-N 50249429 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(2-phenyl-1H-imidazol-5-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL511154 C-C chemokine receptor type 5 6.2 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249429&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010259 104103740 CHEMBL511154 ZINC42851550 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986657 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2nc(c[nH]2)-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H42N4O2/c38-33(39)31(26-14-8-3-9-15-26)37-22-28(29(23-37)24-10-4-1-5-11-24)21-36-18-16-27(17-19-36)32-34-20-30(35-32)25-12-6-2-7-13-25/h1-2,4-7,10-13,20,26-29,31H,3,8-9,14-19,21-23H2,(H,34,35)(H,38,39)/t28-,29+,31+/m0/s1 HTMDNDFAQVGELR-ILJQZKEFSA-N 50249428 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL471722 C-C chemokine receptor type 5 23 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249428&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010258 104103739 CHEMBL471722 ZINC44417182 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986658 CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 InChI=1S/C35H44FN3O2S/c1-2-31-34(42-33(37-31)19-25-8-4-3-5-9-25)26-14-16-38(17-15-26)21-28-22-39(32(35(40)41)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,40,41)/t28-,30+,32+/m0/s1 HDJFNWIPUIQENQ-QTKNLHBISA-N 50404277 CHEMBL2112553 C-C chemokine receptor type 5 0.760000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404277&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010278 163353301 CHEMBL2112553 ZINC27075471 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978864 c1cnc2c(c1)ccc1cccnc21 InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H DGEZNRSVGBDHLK-UHFFFAOYSA-N 50092158 1,10-phenanthroline::CHEMBL415879::US10669227, Compound 1,10-phenanthroline::US11608309, Compound 1,10-phenanthroline::US9187406, 1,10-phenanthroline::cid_1318 C-C chemokine receptor type 5 5011.87 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092158&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search PHN 5TSO,2LIG,1LIH,6LZO,7BKU,6R1L,5VJ5,7Q0V,2FU7,7Q0W 1318 103990358 44975 CHEMBL415879 DB02365 C00604 ZINC00164363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978865 c1ccc(nc1)-c1ccccn1 InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H ROFVEXUMMXZLPA-UHFFFAOYSA-N 50042874 2,2'-Bipyridin::2,2'-bipyridine::2,2'-bipyridyl::2,2'-dipyridine::2,2'-dipyridyl::2-(2-pyridyl)pyridine::CHEMBL39879::US10196346, Bipyridine::alpha,alpha'-bipyridine::alpha,alpha'-bipyridyl::alpha,alpha'-dipyridine::alpha,alpha'-dipyridyl::bpy C-C chemokine receptor type 5 19952.62 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 0BP 5VJG,7Q0U 1474 103974406 30351 CHEMBL39879 ZINC00105227 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978908 c1ccc(nc1)-c1cccc(n1)-c1ccccn1 InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H DRGAZIDRYFYHIJ-UHFFFAOYSA-N 38924 2,6-bis(2-pyridinyl)pyridine::2,6-bis(2-pyridyl)pyridine::2,6-dipyridin-2-ylpyridine::MLS000048666::SMR000060049::cid_70848 C-C chemokine receptor type 5 31622.78 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38924&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70848 252619825 245199 ZINC00009065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978909 O=Cc1ccnc2c1ccc1c(C=O)ccnc21 InChI=1S/C14H8N2O2/c17-7-9-3-5-15-13-11(9)1-2-12-10(8-18)4-6-16-14(12)13/h1-8H HCJOBZLFARGFLG-UHFFFAOYSA-N 50401343 CHEMBL2205801 C-C chemokine receptor type 5 10000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401343&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 14434082 163350367 CHEMBL2205801 ZINC95558531 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978910 Clc1cc(nc(c1)-c1ccccn1)-c1ccccn1 InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H AHEMFMCEBIJRMU-UHFFFAOYSA-N 50401354 CHEMBL2205805 C-C chemokine receptor type 5 8100 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401354&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 667748 163350378 CHEMBL2205805 ZINC00027093 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978911 Oc1cc(nc(c1)-c1ccccn1)-c1ccccn1 InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19) HRORSVNZQWCZTD-UHFFFAOYSA-N 50401356 CHEMBL2205804 C-C chemokine receptor type 5 519000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401356&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 619353 163350380 CHEMBL2205804 ZINC00403259 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978912 c1ccc(nc1)-c1cccc(n1)-c1ccccn1 InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H DRGAZIDRYFYHIJ-UHFFFAOYSA-N 38924 2,6-bis(2-pyridinyl)pyridine::2,6-bis(2-pyridyl)pyridine::2,6-dipyridin-2-ylpyridine::MLS000048666::SMR000060049::cid_70848 C-C chemokine receptor type 5 25000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38924&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70848 252619825 245199 ZINC00009065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978913 BrCc1ccc2ccc3ccc(CBr)nc3c2n1 InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2 DGDBWGQSYCEWHT-UHFFFAOYSA-N 50401340 CHEMBL1976682 C-C chemokine receptor type 5 205000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401340&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 353741 163350364 CHEMBL1976682 ZINC01608162 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978914 O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H RHXOPVFYZBGQGA-UHFFFAOYSA-N 50401341 CHEMBL2205803 C-C chemokine receptor type 5 128000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401341&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 602123 163350365 CHEMBL2205803 ZINC00218307 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978915 OCc1ccc2ccc3ccc(CO)nc3c2n1 InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2 IEPOQNOTFLXUPQ-UHFFFAOYSA-N 50401342 CHEMBL2205802 C-C chemokine receptor type 5 587000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401342&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 336912 163350366 CHEMBL2205802 ZINC00391500 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978916 O=Cc1ccnc2c1ccc1c(C=O)ccnc21 InChI=1S/C14H8N2O2/c17-7-9-3-5-15-13-11(9)1-2-12-10(8-18)4-6-16-14(12)13/h1-8H HCJOBZLFARGFLG-UHFFFAOYSA-N 50401343 CHEMBL2205801 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401343&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 14434082 163350367 CHEMBL2205801 ZINC95558531 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978917 Oc1ccnc2c1ccc1c(O)ccnc21 InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16) SLIBCJURSADKPV-UHFFFAOYSA-N 50401357 CHEMBL1623498 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401357&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 77524 163350381 CHEMBL1623498 ZINC12341711 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978918 Cc1ccnc2c1ccc1cccnc21 InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3 NAZZKEZTSOOCSZ-UHFFFAOYSA-N 50401346 CHEMBL316589::cid_93149 C-C chemokine receptor type 5 66000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 93149 163350370 CHEMBL316589 ZINC00120467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978919 Cc1ccnc2c1ccc1c(C)ccnc21 InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3 JIVLDFFWTQYGSR-UHFFFAOYSA-N 50401348 CHEMBL593442 C-C chemokine receptor type 5 300000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search DPT 1I53 72792 163350372 CHEMBL593442 DB02586 ZINC00120461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978920 Cc1ccc2ccc3ccc(C)nc3c2n1 InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3 IYRGXJIJGHOCFS-UHFFFAOYSA-N 64740 2,9-dimethyl-1,10-phenanthroline::MLS001194484::SMR000555011::cid_65237 C-C chemokine receptor type 5 30000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=64740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=64740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 65237 252643719 ZINC00119332 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978921 COc1ccnc(c1)-c1cc(OC)ccn1 InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3 IMEVSAIFJKKDAP-UHFFFAOYSA-N 50401349 CHEMBL2205808 C-C chemokine receptor type 5 1511000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401349&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 2733927 163350373 CHEMBL2205808 ZINC00403962 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978922 Cc1ccnc(c1)-c1cc(C)ccn1 InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3 NBPGPQJFYXNFKN-UHFFFAOYSA-N 50401350 CHEMBL101165 C-C chemokine receptor type 5 337000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401350&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 14338 163350374 CHEMBL101165 ZINC00120136 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978923 Cc1ccc(nc1)-c1ccc(C)cn1 InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3 PTRATZCAGVBFIQ-UHFFFAOYSA-N 50401351 CHEMBL2205807 C-C chemokine receptor type 5 206000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401351&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search EI3 5ARD,5ARB,5ARC 15664 163350375 CHEMBL2205807 ZINC00403335 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978924 Cc1cccc(n1)-c1cccc(C)n1 InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3 OHJPGUSXUGHOGE-UHFFFAOYSA-N 50401355 CHEMBL2205806 C-C chemokine receptor type 5 511000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401355&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20445 163350379 CHEMBL2205806 ZINC00403297 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978925 c1cnc2c(c1)ccc1cccnc21 InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H DGEZNRSVGBDHLK-UHFFFAOYSA-N 50092158 1,10-phenanthroline::CHEMBL415879::US10669227, Compound 1,10-phenanthroline::US11608309, Compound 1,10-phenanthroline::US9187406, 1,10-phenanthroline::cid_1318 C-C chemokine receptor type 5 53000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092158&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search PHN 5TSO,2LIG,1LIH,6LZO,7BKU,6R1L,5VJ5,7Q0V,2FU7,7Q0W 1318 103990358 44975 CHEMBL415879 DB02365 C00604 ZINC00164363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978926 c1ccc(nc1)-c1ccccn1 InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H ROFVEXUMMXZLPA-UHFFFAOYSA-N 50042874 2,2'-Bipyridin::2,2'-bipyridine::2,2'-bipyridyl::2,2'-dipyridine::2,2'-dipyridyl::2-(2-pyridyl)pyridine::CHEMBL39879::US10196346, Bipyridine::alpha,alpha'-bipyridine::alpha,alpha'-bipyridyl::alpha,alpha'-dipyridine::alpha,alpha'-dipyridyl::bpy C-C chemokine receptor type 5 84000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 0BP 5VJG,7Q0U 1474 103974406 30351 CHEMBL39879 ZINC00105227 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978930 BrCc1ccc2ccc3ccc(CBr)nc3c2n1 InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2 DGDBWGQSYCEWHT-UHFFFAOYSA-N 50401340 CHEMBL1976682 C-C chemokine receptor type 5 199526.23 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401340&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 353741 163350364 CHEMBL1976682 ZINC01608162 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978931 O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H RHXOPVFYZBGQGA-UHFFFAOYSA-N 50401341 CHEMBL2205803 C-C chemokine receptor type 5 125892.54 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401341&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 602123 163350365 CHEMBL2205803 ZINC00218307 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986659 CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C31H39N3O3/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,30+/m0/s1 RNPPRRQXTVGBHF-PVTPYKNESA-N 50249333 (R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::CHEMBL471766 C-C chemokine receptor type 5 3.8 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249333&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010269 104103660 CHEMBL471766 ZINC33503567 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986660 CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1)C(O)=O InChI=1S/C31H39N3O2S/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,30+/m0/s1 SGVAGNDDAYRYKV-PVTPYKNESA-N 50249334 (R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid::CHEMBL513564 C-C chemokine receptor type 5 0.510000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249334&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010272 104103661 CHEMBL513564 ZINC33503568 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986661 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 InChI=1S/C32H40N4O2/c37-32(38)30(17-24-11-12-24)36-21-27(28(22-36)25-9-5-2-6-10-25)20-35-15-13-26(14-16-35)29-19-33-31(34-29)18-23-7-3-1-4-8-23/h1-10,19,24,26-28,30H,11-18,20-22H2,(H,33,34)(H,37,38)/t27-,28+,30+/m0/s1 DUVCGNYAXUOTQC-PKZQBKLLSA-N 50404278 CHEMBL2112560 C-C chemokine receptor type 5 0.730000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404278&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010267 163353302 CHEMBL2112560 ZINC95607366 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986662 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2nocc2-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H41N3O3/c37-33(38)32(27-14-8-3-9-15-27)36-21-28(29(22-36)24-10-4-1-5-11-24)20-35-18-16-26(17-19-35)31-30(23-39-34-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,23,26-29,32H,3,8-9,14-22H2,(H,37,38)/t28-,29+,32+/m0/s1 GSMNVYBDJYKVCY-NPLMNSEMSA-N 50249396 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(4-phenylisoxazol-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL470507 C-C chemokine receptor type 5 27 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249396&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010257 104103713 CHEMBL470507 ZINC44406142 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986663 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(no2)-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H41N3O3/c37-33(38)32(27-14-8-3-9-15-27)36-22-28(29(23-36)24-10-4-1-5-11-24)21-35-18-16-26(17-19-35)31-20-30(34-39-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,20,26-29,32H,3,8-9,14-19,21-23H2,(H,37,38)/t28-,29+,32+/m0/s1 KMJXNUMOUQQANC-NPLMNSEMSA-N 50249395 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(3-phenylisoxazol-5-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::CHEMBL511806 C-C chemokine receptor type 5 18 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249395&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010256 104103712 CHEMBL511806 ZINC42851761 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986664 OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 InChI=1S/C32H39N3O3/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,29+/m0/s1 FVHNVQXWBIUQGH-ZGIBFIJWSA-N 50249466 (R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclopropylpropanoic acid::CHEMBL480504 C-C chemokine receptor type 5 1.6 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249466&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010270 104103765 CHEMBL480504 ZINC49867724 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986665 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-29(30(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)31-21-35-32(36-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t29-,30+,33+/m0/s1 OTLSHAWTFXPHJG-AARCXHMLSA-N 50249302 (R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL520755 C-C chemokine receptor type 5 0.670000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249302&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010261 104103638 CHEMBL520755 ZINC42889023 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986666 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O2S/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,32+/m0/s1 KLPCQOKCNZJSOQ-JIZBBPSKSA-N 50249430 (R)-2-((3S,4S)-3-((4-(5-benzylthiazol-2-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL511494 C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249430&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010263 104103741 CHEMBL511494 ZINC42851326 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986667 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(n2)-c2ccccc2)[C@H](C1)c1ccccc1 InChI=1S/C33H41N3O2S/c37-33(38)31(26-12-6-2-7-13-26)36-21-28(29(22-36)24-10-4-1-5-11-24)20-35-18-16-25(17-19-35)30-23-39-32(34-30)27-14-8-3-9-15-27/h1,3-5,8-11,14-15,23,25-26,28-29,31H,2,6-7,12-13,16-22H2,(H,37,38)/t28-,29+,31+/m0/s1 HRDRRQHMSIEVHO-ILJQZKEFSA-N 50404279 CHEMBL2112554 C-C chemokine receptor type 5 1.1 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404279&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010260 163353303 CHEMBL2112554 ZINC95607372 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986668 OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 InChI=1S/C34H43N3O3/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,32+/m0/s1 RLWWCATZTPAPKW-JIZBBPSKSA-N 50249304 (R)-2-((3S,4S)-3-((4-(5-benzyloxazol-2-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL481274 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249304&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010265 104103640 CHEMBL481274 ZINC49867220 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986669 CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 InChI=1S/C33H42FN3O2S/c1-4-29-32(40-30(35-29)17-23-9-6-5-7-10-23)24-13-15-36(16-14-24)19-26-20-37(31(22(2)3)33(38)39)21-28(26)25-11-8-12-27(34)18-25/h5-12,18,22,24,26,28,31H,4,13-17,19-21H2,1-3H3,(H,38,39)/t26-,28+,31+/m0/s1 CMPOHJWPONDMJV-PTYIDMFESA-N 50404280 CHEMBL2112555 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404280&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010280 163353304 CHEMBL2112555 ZINC72280197 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986670 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 InChI=1S/C33H41N3O3/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29+,30+/m0/s1 QVHYASLLUGSFEA-FRXPANAUSA-N 50249467 (R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-cyclobutylpropanoic acid::CHEMBL480693 C-C chemokine receptor type 5 0.340000 ChEMBL 10.1016/j.bmcl.2004.04.078 10.7270/Q2X63MD1 15177445 Shankaran, K; Donnelly, KL; Shah, SK; Guthikonda, RN; MacCoss, M; Mills, SG; Gould, SL; Malkowitz, L; Siciliano, SJ; Springer, MS; Carella, A; Carver, G; Hazuda, D; Holmes, K; Kessler, J; Lineberger, J; Miller, MD; Emini, EA; Schleif, WA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249467&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3010271 104103766 CHEMBL480693 ZINC49867655 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986805 CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C35H46FN5O2/c1-2-41-33(20-31(38-41)18-25-8-7-15-37-21-25)26-13-16-39(17-14-26)22-29-23-40(24-32(29)28-11-6-12-30(36)19-28)34(35(42)43)27-9-4-3-5-10-27/h6-8,11-12,15,19-21,26-27,29,32,34H,2-5,9-10,13-14,16-18,22-24H2,1H3,(H,42,43)/t29-,32+,34+/m0/s1 JGAITRDERWCFBO-ABAVYFCKSA-N 50404322 CHEMBL2112952 C-C chemokine receptor type 5 3.9 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404322&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516305 163353346 CHEMBL2112952 ZINC95607601 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50986806 CC[C@@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cccc(CN)c3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O InChI=1S/C35H48FN5O2/c1-4-24(3)34(35(42)43)40-22-29(32(23-40)28-10-7-11-30(36)18-28)21-39-14-12-27(13-15-39)33-19-31(38-41(33)5-2)17-25-8-6-9-26(16-25)20-37/h6-11,16,18-19,24,27,29,32,34H,4-5,12-15,17,20-23,37H2,1-3H3,(H,42,43)/t24-,29+,32-,34-/m1/s1 KJSWDFIBFZJKOY-TWNSHOTESA-N 50404323 CHEMBL2112951 C-C chemokine receptor type 5 2.7 ChEMBL 10.1016/j.bmcl.2003.12.006 10.7270/Q2F18Z5V 15012999 Shu, M; Loebach, JL; Parker, KA; Mills, SG; Chapman, KT; Shen, DM; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Salvo, JD; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50404323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50404323&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516241 163353347 CHEMBL2112951 ZINC95607595 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978932 OCc1ccc2ccc3ccc(CO)nc3c2n1 InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2 IEPOQNOTFLXUPQ-UHFFFAOYSA-N 50401342 CHEMBL2205802 C-C chemokine receptor type 5 630957.34 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401342&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 336912 163350366 CHEMBL2205802 ZINC00391500 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978933 Cc1ccnc2c1ccc1cccnc21 InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3 NAZZKEZTSOOCSZ-UHFFFAOYSA-N 50401346 CHEMBL316589::cid_93149 C-C chemokine receptor type 5 63095.73 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 93149 163350370 CHEMBL316589 ZINC00120467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978934 Cc1ccnc2c1ccc1c(C)ccnc21 InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3 JIVLDFFWTQYGSR-UHFFFAOYSA-N 50401348 CHEMBL593442 C-C chemokine receptor type 5 316227.77 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search DPT 1I53 72792 163350372 CHEMBL593442 DB02586 ZINC00120461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978935 Cc1ccc2ccc3ccc(C)nc3c2n1 InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3 IYRGXJIJGHOCFS-UHFFFAOYSA-N 64740 2,9-dimethyl-1,10-phenanthroline::MLS001194484::SMR000555011::cid_65237 C-C chemokine receptor type 5 31622.78 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=64740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=64740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 65237 252643719 ZINC00119332 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978936 COc1ccnc(c1)-c1cc(OC)ccn1 InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3 IMEVSAIFJKKDAP-UHFFFAOYSA-N 50401349 CHEMBL2205808 C-C chemokine receptor type 5 1584893.19 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401349&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 2733927 163350373 CHEMBL2205808 ZINC00403962 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978937 Cc1ccnc(c1)-c1cc(C)ccn1 InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3 NBPGPQJFYXNFKN-UHFFFAOYSA-N 50401350 CHEMBL101165 C-C chemokine receptor type 5 316227.77 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401350&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 14338 163350374 CHEMBL101165 ZINC00120136 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978938 Cc1ccc(nc1)-c1ccc(C)cn1 InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3 PTRATZCAGVBFIQ-UHFFFAOYSA-N 50401351 CHEMBL2205807 C-C chemokine receptor type 5 199526.23 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401351&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search EI3 5ARD,5ARB,5ARC 15664 163350375 CHEMBL2205807 ZINC00403335 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978939 Cc1cccc(n1)-c1cccc(C)n1 InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3 OHJPGUSXUGHOGE-UHFFFAOYSA-N 50401355 CHEMBL2205806 C-C chemokine receptor type 5 501187.23 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401355&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20445 163350379 CHEMBL2205806 ZINC00403297 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978940 c1cnc2c(c1)ccc1cccnc21 InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H DGEZNRSVGBDHLK-UHFFFAOYSA-N 50092158 1,10-phenanthroline::CHEMBL415879::US10669227, Compound 1,10-phenanthroline::US11608309, Compound 1,10-phenanthroline::US9187406, 1,10-phenanthroline::cid_1318 C-C chemokine receptor type 5 50118.72 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092158&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search PHN 5TSO,2LIG,1LIH,6LZO,7BKU,6R1L,5VJ5,7Q0V,2FU7,7Q0W 1318 103990358 44975 CHEMBL415879 DB02365 C00604 ZINC00164363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978941 c1ccc(nc1)-c1ccccn1 InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H ROFVEXUMMXZLPA-UHFFFAOYSA-N 50042874 2,2'-Bipyridin::2,2'-bipyridine::2,2'-bipyridyl::2,2'-dipyridine::2,2'-dipyridyl::2-(2-pyridyl)pyridine::CHEMBL39879::US10196346, Bipyridine::alpha,alpha'-bipyridine::alpha,alpha'-bipyridyl::alpha,alpha'-dipyridine::alpha,alpha'-dipyridyl::bpy C-C chemokine receptor type 5 79432.82 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 0BP 5VJG,7Q0U 1474 103974406 30351 CHEMBL39879 ZINC00105227 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978954 Clc1cc(nc(c1)-c1ccccn1)-c1ccccn1 InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H AHEMFMCEBIJRMU-UHFFFAOYSA-N 50401354 CHEMBL2205805 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401354&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 667748 163350378 CHEMBL2205805 ZINC00027093 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978955 Oc1cc(nc(c1)-c1ccccn1)-c1ccccn1 InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19) HRORSVNZQWCZTD-UHFFFAOYSA-N 50401356 CHEMBL2205804 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401356&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 619353 163350380 CHEMBL2205804 ZINC00403259 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978956 c1ccc(nc1)-c1cccc(n1)-c1ccccn1 InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H DRGAZIDRYFYHIJ-UHFFFAOYSA-N 38924 2,6-bis(2-pyridinyl)pyridine::2,6-bis(2-pyridyl)pyridine::2,6-dipyridin-2-ylpyridine::MLS000048666::SMR000060049::cid_70848 C-C chemokine receptor type 5 29000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38924&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70848 252619825 245199 ZINC00009065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978957 BrCc1ccc2ccc3ccc(CBr)nc3c2n1 InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2 DGDBWGQSYCEWHT-UHFFFAOYSA-N 50401340 CHEMBL1976682 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401340&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 353741 163350364 CHEMBL1976682 ZINC01608162 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978958 O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 InChI=1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H RHXOPVFYZBGQGA-UHFFFAOYSA-N 50401341 CHEMBL2205803 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401341&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 602123 163350365 CHEMBL2205803 ZINC00218307 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978959 OCc1ccc2ccc3ccc(CO)nc3c2n1 InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2 IEPOQNOTFLXUPQ-UHFFFAOYSA-N 50401342 CHEMBL2205802 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401342&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 336912 163350366 CHEMBL2205802 ZINC00391500 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978960 O=Cc1ccnc2c1ccc1c(C=O)ccnc21 InChI=1S/C14H8N2O2/c17-7-9-3-5-15-13-11(9)1-2-12-10(8-18)4-6-16-14(12)13/h1-8H HCJOBZLFARGFLG-UHFFFAOYSA-N 50401343 CHEMBL2205801 C-C chemokine receptor type 5 10000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401343&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 14434082 163350367 CHEMBL2205801 ZINC95558531 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978961 Oc1ccnc2c1ccc1c(O)ccnc21 InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16) SLIBCJURSADKPV-UHFFFAOYSA-N 50401357 CHEMBL1623498 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401357&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 77524 163350381 CHEMBL1623498 ZINC12341711 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978962 Clc1cc2cccnc2c2ncccc12 InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H XDUUQOQFSWSZSM-UHFFFAOYSA-N 50401344 CHEMBL317115 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401344&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 77865 163350368 CHEMBL317115 ZINC00120457 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978963 Cc1cc2cccnc2c2ncccc12 InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3 UJAQYOZROIFQHO-UHFFFAOYSA-N 50401345 CHEMBL98682 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 72791 163350369 CHEMBL98682 ZINC00120047 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978964 Cc1ccnc2c1ccc1cccnc21 InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3 NAZZKEZTSOOCSZ-UHFFFAOYSA-N 50401346 CHEMBL316589::cid_93149 C-C chemokine receptor type 5 1800 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 93149 163350370 CHEMBL316589 ZINC00120467 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978965 Cc1cnc2c(ccc3cccnc23)c1 InChI=1S/C13H10N2/c1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9/h2-8H,1H3 PBIOPYCIDCAUBZ-UHFFFAOYSA-N 50401352 CHEMBL2205810 C-C chemokine receptor type 5 2200 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401352&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15783796 163350376 CHEMBL2205810 ZINC34743784 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978966 Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3 NPAXPTHCUCUHPT-UHFFFAOYSA-N 50401347 CHEMBL99384 C-C chemokine receptor type 5 1000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401347&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 74265 163350371 CHEMBL99384 ZINC00119661 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978967 Cc1ccnc2c1ccc1c(C)ccnc21 InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3 JIVLDFFWTQYGSR-UHFFFAOYSA-N 50401348 CHEMBL593442 C-C chemokine receptor type 5 2600 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search DPT 1I53 72792 163350372 CHEMBL593442 DB02586 ZINC00120461 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978968 Cc1cnc2c(ccc3cc(C)cnc23)c1 InChI=1S/C14H12N2/c1-9-5-11-3-4-12-6-10(2)8-16-14(12)13(11)15-7-9/h3-8H,1-2H3 KSACKJIWQPGKMJ-UHFFFAOYSA-N 50401353 CHEMBL2205809 C-C chemokine receptor type 5 1900 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401353&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 12987698 163350377 CHEMBL2205809 ZINC39365566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978969 Cc1ccc2ccc3ccc(C)nc3c2n1 InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3 IYRGXJIJGHOCFS-UHFFFAOYSA-N 64740 2,9-dimethyl-1,10-phenanthroline::MLS001194484::SMR000555011::cid_65237 C-C chemokine receptor type 5 67000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=64740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=64740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 65237 252643719 ZINC00119332 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978970 COc1ccnc(c1)-c1cc(OC)ccn1 InChI=1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3 IMEVSAIFJKKDAP-UHFFFAOYSA-N 50401349 CHEMBL2205808 C-C chemokine receptor type 5 22000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401349&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 2733927 163350373 CHEMBL2205808 ZINC00403962 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978971 Cc1ccnc(c1)-c1cc(C)ccn1 InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3 NBPGPQJFYXNFKN-UHFFFAOYSA-N 50401350 CHEMBL101165 C-C chemokine receptor type 5 11000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401350&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 14338 163350374 CHEMBL101165 ZINC00120136 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978972 Cc1ccc(nc1)-c1ccc(C)cn1 InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3 PTRATZCAGVBFIQ-UHFFFAOYSA-N 50401351 CHEMBL2205807 C-C chemokine receptor type 5 2300 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401351&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search EI3 5ARD,5ARB,5ARC 15664 163350375 CHEMBL2205807 ZINC00403335 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978973 Cc1cccc(n1)-c1cccc(C)n1 InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3 OHJPGUSXUGHOGE-UHFFFAOYSA-N 50401355 CHEMBL2205806 C-C chemokine receptor type 5 >1000000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401355&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20445 163350379 CHEMBL2205806 ZINC00403297 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978974 c1cnc2c(c1)ccc1cccnc21 InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H DGEZNRSVGBDHLK-UHFFFAOYSA-N 50092158 1,10-phenanthroline::CHEMBL415879::US10669227, Compound 1,10-phenanthroline::US11608309, Compound 1,10-phenanthroline::US9187406, 1,10-phenanthroline::cid_1318 C-C chemokine receptor type 5 4900 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092158&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search PHN 5TSO,2LIG,1LIH,6LZO,7BKU,6R1L,5VJ5,7Q0V,2FU7,7Q0W 1318 103990358 44975 CHEMBL415879 DB02365 C00604 ZINC00164363 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50978975 c1ccc(nc1)-c1ccccn1 InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H ROFVEXUMMXZLPA-UHFFFAOYSA-N 50042874 2,2'-Bipyridin::2,2'-bipyridine::2,2'-bipyridyl::2,2'-dipyridine::2,2'-dipyridyl::2-(2-pyridyl)pyridine::CHEMBL39879::US10196346, Bipyridine::alpha,alpha'-bipyridine::alpha,alpha'-bipyridyl::alpha,alpha'-dipyridine::alpha,alpha'-dipyridyl::bpy C-C chemokine receptor type 5 19000 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042874&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 0BP 5VJG,7Q0U 1474 103974406 30351 CHEMBL39879 ZINC00105227 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50985203 CN(C[C@@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H41N3O4S/c1-3-22-36(33(37)40-27-28-13-7-4-8-14-28)31-20-24-35(25-21-31)23-19-30(29-15-9-5-10-16-29)26-34(2)41(38,39)32-17-11-6-12-18-32/h3-18,30-31H,1,19-27H2,2H3/t30-/m1/s1 KBSWOGHNRPKEDN-SSEXGKCCSA-N 50104251 Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid benzyl ester::CHEMBL82168 C-C chemokine receptor type 5 2 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104251&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486604 104000210 CHEMBL82168 ZINC26503442 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50985204 CN(C[C@@H](CCN1CCC(CC1)N1CCOC1=O)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C25H33N3O4S/c1-26(33(30,31)24-10-6-3-7-11-24)20-22(21-8-4-2-5-9-21)12-15-27-16-13-23(14-17-27)28-18-19-32-25(28)29/h2-11,22-23H,12-20H2,1H3/t22-/m1/s1 RBKFPXBLPYZBDH-JOCHJYFZSA-N 50403868 CHEMBL2114185 C-C chemokine receptor type 5 1000 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50403868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50403868&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21148035 163352892 CHEMBL2114185 ZINC32053310 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50979012 Clc1cc(nc(c1)-c1ccccn1)-c1ccccn1 InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H AHEMFMCEBIJRMU-UHFFFAOYSA-N 50401354 CHEMBL2205805 C-C chemokine receptor type 5 7943.28 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401354&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 667748 163350378 CHEMBL2205805 ZINC00027093 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50979013 Oc1cc(nc(c1)-c1ccccn1)-c1ccccn1 InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19) HRORSVNZQWCZTD-UHFFFAOYSA-N 50401356 CHEMBL2205804 C-C chemokine receptor type 5 501187.23 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50401356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50401356&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 619353 163350380 CHEMBL2205804 ZINC00403259 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50979014 c1ccc(nc1)-c1cccc(n1)-c1ccccn1 InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H DRGAZIDRYFYHIJ-UHFFFAOYSA-N 38924 2,6-bis(2-pyridinyl)pyridine::2,6-bis(2-pyridyl)pyridine::2,6-dipyridin-2-ylpyridine::MLS000048666::SMR000060049::cid_70848 C-C chemokine receptor type 5 25118.86 ChEMBL 10.1021/jm301121j 10.7270/Q2Q81F7S 22957890 Thiele, S; Malmgaard-Clausen, M; Engel-Andreasen, J; Steen, A; Rummel, PC; Nielsen, MC; Gloriam, DE; Frimurer, TM; Ulven, T; Rosenkilde, MM University of Copenhagen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38924&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 70848 252619825 245199 ZINC00009065 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51049390 Cc1cc(no1)-c1nc(NC[C@H]2CCC[C@H](O2)c2ccc(cc2)C(F)(F)F)c(C)c(n1)C(=O)N1CCC(CC1)N[C@@H]1CCOC[C@@H]1F InChI=1S/C33H40F4N6O4/c1-19-16-27(42-47-19)31-40-29(32(44)43-13-10-23(11-14-43)39-26-12-15-45-18-25(26)34)20(2)30(41-31)38-17-24-4-3-5-28(46-24)21-6-8-22(9-7-21)33(35,36)37/h6-9,16,23-26,28,39H,3-5,10-15,17-18H2,1-2H3,(H,38,40,41)/t24-,25+,26-,28+/m1/s1 CSTRIVMEIYPLGJ-ASUDMDKOSA-N 50428326 CHEMBL2338393 C-C chemokine receptor type 5 50 ChEMBL 10.1021/ml400055e 10.7270/Q2B859FX 24900677 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428326&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71719547 164157201 CHEMBL2338393 ZINC95590760 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51049391 CO[C@@H]1COCC[C@@H]1NC1CCN(CC1)C(=O)c1nc(CF)nc(Nc2ccc(Cl)c(Cl)c2)c1C InChI=1S/C24H30Cl2FN5O3/c1-14-22(30-21(12-27)31-23(14)29-16-3-4-17(25)18(26)11-16)24(33)32-8-5-15(6-9-32)28-19-7-10-35-13-20(19)34-2/h3-4,11,15,19-20,28H,5-10,12-13H2,1-2H3,(H,29,30,31)/t19-,20+/m0/s1 DECZUBPHXAXNSH-VQTJNVASSA-N 50428327 CHEMBL2338392 C-C chemokine receptor type 5 31 ChEMBL 10.1021/ml400055e 10.7270/Q2B859FX 24900677 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428327&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71717723 164157202 CHEMBL2338392 ZINC95592479 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51049392 Cc1c(NC[C@H]2CCC[C@H](O2)c2ccc(cc2)C(F)(F)F)nc(nc1C(=O)N1CCC(CC1)N[C@H]1CCOC[C@H]1F)C1CCOCC1 InChI=1S/C34H45F4N5O4/c1-21-30(33(44)43-14-9-25(10-15-43)40-28-13-18-46-20-27(28)35)41-32(23-11-16-45-17-12-23)42-31(21)39-19-26-3-2-4-29(47-26)22-5-7-24(8-6-22)34(36,37)38/h5-8,23,25-29,40H,2-4,9-20H2,1H3,(H,39,41,42)/t26-,27-,28+,29+/m1/s1 FFBYNQCXDQNNQT-GKQHHHCTSA-N 50428328 CHEMBL2338391 C-C chemokine receptor type 5 210 ChEMBL 10.1021/ml400055e 10.7270/Q2B859FX 24900677 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428328&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71718331 164157203 CHEMBL2338391 ZINC95589667 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51049393 CO[C@@H]1COCC[C@@H]1NC1CCN(CC1)C(=O)c1nc(nc(N2CCc3cc(ccc3C2)C(F)(F)F)c1C)C(F)(F)F InChI=1S/C28H33F6N5O3/c1-16-23(25(40)38-10-6-20(7-11-38)35-21-8-12-42-15-22(21)41-2)36-26(28(32,33)34)37-24(16)39-9-5-17-13-19(27(29,30)31)4-3-18(17)14-39/h3-4,13,20-22,35H,5-12,14-15H2,1-2H3/t21-,22+/m0/s1 HKIFMAJLMSGIOP-FCHUYYIVSA-N 50428329 CHEMBL2338390 C-C chemokine receptor type 5 150 ChEMBL 10.1021/ml400055e 10.7270/Q2B859FX 24900677 Abdel-Magid, AF Therachem Research Medilab (India) Pvt. Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50428329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50428329&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 71718930 164157204 CHEMBL2338390 ZINC95589359 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51038779 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1 PNDKCRDVVKJPKG-DPDRHGIRSA-N 50422828 CENICRIVIROC::CENICRIVIROC MESYLATE::TAK-652::TBR-652 C-C chemokine receptor type 5 3.0 ChEMBL 10.1021/jm300682j 10.7270/Q2862HKR 22931505 Pease, J; Horuk, R National Heart and Lung Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50422828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50422828&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11285792 164151703 ZINC28569498 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51000577 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3cnccn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-6-2-5-22(14-24)25-19-34(26(29(36)37)13-20-3-1-4-20)18-23(25)17-33-10-7-21(8-11-33)27-15-32-28-16-31-9-12-35(27)28/h2,5-6,9,12,14-16,20-21,23,25-26H,1,3-4,7-8,10-11,13,17-19H2,(H,36,37)/t23-,25+,26+/m0/s1 WLPDSYHWEUFHNA-SKBVVQJISA-N 50410166 CHEMBL2113088 C-C chemokine receptor type 5 1 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410166&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 59959034 163359190 CHEMBL2113088 ZINC33817884 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51000578 Cc1cc(C)n2ncc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](CC4CCC4)C(O)=O)CC3)c2n1 InChI=1S/C31H40FN5O2/c1-20-13-21(2)37-30(34-20)27(16-33-37)23-9-11-35(12-10-23)17-25-18-36(29(31(38)39)14-22-5-3-6-22)19-28(25)24-7-4-8-26(32)15-24/h4,7-8,13,15-16,22-23,25,28-29H,3,5-6,9-12,14,17-19H2,1-2H3,(H,38,39)/t25-,28+,29+/m0/s1 DGTIAKQTRLSQQA-RFYMFKDESA-N 50410167 CHEMBL2113084 C-C chemokine receptor type 5 7 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410167&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664141 163359191 CHEMBL2113084 ZINC95607695 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51000579 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2ncc3ccccn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H37FN4O2/c31-25-8-4-7-23(16-25)27-20-34(28(30(36)37)15-21-5-3-6-21)19-24(27)18-33-13-10-22(11-14-33)29-32-17-26-9-1-2-12-35(26)29/h1-2,4,7-9,12,16-17,21-22,24,27-28H,3,5-6,10-11,13-15,18-20H2,(H,36,37)/t24-,27+,28+/m0/s1 JURAKFHVLFDHDI-HNPKZYAISA-N 50249524 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,5-a]pyridin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL470512 C-C chemokine receptor type 5 13 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249524&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565874 104103801 CHEMBL470512 ZINC33817879 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51000580 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3ccncc3n2)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-6-2-5-22(14-24)25-18-35(27(29(36)37)13-20-3-1-4-20)17-23(25)16-33-10-7-21(8-11-33)26-19-34-12-9-31-15-28(34)32-26/h2,5-6,9,12,14-15,19-21,23,25,27H,1,3-4,7-8,10-11,13,16-18H2,(H,36,37)/t23-,25+,27+/m0/s1 PTNCFTCNBNAIGZ-VXQMPNGUSA-N 50249078 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-a]pyrazin-2-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL472799 C-C chemokine receptor type 5 29 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249078&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565558 104103451 CHEMBL472799 ZINC33817892 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51000581 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cn3ccccc3n2)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H37FN4O2/c31-25-8-4-7-23(16-25)26-19-35(28(30(36)37)15-21-5-3-6-21)18-24(26)17-33-13-10-22(11-14-33)27-20-34-12-2-1-9-29(34)32-27/h1-2,4,7-9,12,16,20-22,24,26,28H,3,5-6,10-11,13-15,17-19H2,(H,36,37)/t24-,26+,28+/m0/s1 ULFPSOIGAFYNHK-DKRHUIDYSA-N 50249399 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-a]pyridin-2-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL475777 C-C chemokine receptor type 5 65 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249399&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664160 104103716 CHEMBL475777 ZINC33817891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51000583 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ncccn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-7-2-6-22(15-24)25-19-34(26(28(36)37)14-20-4-1-5-20)18-23(25)17-33-12-8-21(9-13-33)27-16-32-29-31-10-3-11-35(27)29/h2-3,6-7,10-11,15-16,20-21,23,25-26H,1,4-5,8-9,12-14,17-19H2,(H,36,37)/t23-,25+,26+/m0/s1 SIQBUQVKMLJSTH-SKBVVQJISA-N 50249077 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-a]pyrimidin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL472798 C-C chemokine receptor type 5 3.5 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249077&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565557 104103450 CHEMBL472798 ZINC33817886 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51000584 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3cccnn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C29H36FN5O2/c30-24-7-2-6-22(15-24)25-19-34(26(29(36)37)14-20-4-1-5-20)18-23(25)17-33-12-9-21(10-13-33)27-16-31-28-8-3-11-32-35(27)28/h2-3,6-8,11,15-16,20-21,23,25-26H,1,4-5,9-10,12-14,17-19H2,(H,36,37)/t23-,25+,26+/m0/s1 BOGAYSMNQZYGTC-SKBVVQJISA-N 50249398 (R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL475606 C-C chemokine receptor type 5 3 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249398&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44565791 104103715 CHEMBL475606 ZINC33817888 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51000585 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccccn23)[C@H](C1)c1cccc(F)c1 InChI=1S/C30H37FN4O2/c31-25-8-4-7-23(16-25)26-20-34(27(30(36)37)15-21-5-3-6-21)19-24(26)18-33-13-10-22(11-14-33)28-17-32-29-9-1-2-12-35(28)29/h1-2,4,7-9,12,16-17,21-22,24,26-27H,3,5-6,10-11,13-15,18-20H2,(H,36,37)/t24-,26+,27+/m0/s1 PEOZESLDPFYTRU-WYMJOSIYSA-N 50410168 CHEMBL2113086 C-C chemokine receptor type 5 0.42 ChEMBL 10.1016/j.bmcl.2005.02.030 10.7270/Q21C1WD7 15808483 Kim, D; Wang, L; Hale, JJ; Lynch, CL; Budhu, RJ; Maccoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Hrin, RC; Carver, G; Carella, A; Henry, K; Lineberger, J; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410168&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20664161 163359192 CHEMBL2113086 ZINC33817881 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002624 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1 InChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3 VVYJFMMANNCAHB-UHFFFAOYSA-N 50185960 1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-phenylpiperidine-4-carboxamide::CHEMBL207085 C-C chemokine receptor type 5 72 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013673 104070024 CHEMBL207085 ZINC00591080 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002625 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H36Cl2FN3O3S/c1-38(36,37)33-17-11-23(12-18-33)28(35)34(25-7-8-26(29)27(30)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(31)6-4-21/h3-8,20,22-23H,2,9-19H2,1H3 CVFWQCMVAKICGX-UHFFFAOYSA-N 50185961 CHEMBL207190::N-(3-(4-(4-fluorobenzyl)piperidin-1-yl)propyl)-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 2.1 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013689 104070025 CHEMBL207190 ZINC38156577 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002626 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)Sc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H34Cl2FN3O2S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)37-24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3 CWCAJAZCCFEQBH-UHFFFAOYSA-N 50185963 1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)sulfanyl]piperidin-1-yl}propyl)piperidine-4-carboxamide::CHEMBL437494 C-C chemokine receptor type 5 1.8 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185963&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11505350 104070027 CHEMBL437494 ZINC38156576 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002627 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccccc2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-22(12-18-34)29(37)35(24-7-8-26(30)27(31)20-24)14-4-13-33-15-9-21(10-16-33)19-23-5-2-3-6-25(23)28(32)36/h2-3,5-8,20-22H,4,9-19H2,1H3,(H2,32,36) DDYQGSGSMPSOTP-UHFFFAOYSA-N 50185966 CHEMBL206088::N-{3-[4-(2-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 6.4 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185966&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11692945 104070030 CHEMBL206088 ZINC38156565 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002628 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H39Cl2N3O5S2/c1-40(36,37)26-7-4-22(5-8-26)20-23-10-16-32(17-11-23)14-3-15-34(25-6-9-27(30)28(31)21-25)29(35)24-12-18-33(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3 GHWFPMGRAHZAFP-UHFFFAOYSA-N 50185967 CHEMBL207487::N-(3-(4-(4-(methylsulfonyl)benzyl)piperidin-1-yl)propyl)-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 0.8 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185967&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013701 104070031 CHEMBL207487 ZINC49937669 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002629 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H36Cl2N4O3S/c1-39(37,38)34-17-11-25(12-18-34)29(36)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-24(21-32)6-4-22/h3-8,20,23,25H,2,9-19H2,1H3 JNOUIWYPSXNYSU-UHFFFAOYSA-N 50185973 CHEMBL207630::N-{3-[4-(4-cyanobenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185973&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275759 104070037 CHEMBL207630 ZINC38156570 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002630 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3 ZROHYZUVGTZBOE-UHFFFAOYSA-N 50185971 CHEMBL207447::N-(3,4-dichlorophenyl)-N-[3-(4-{[(4-fluorophenyl)sulfonyl]-amino}piperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 4.1 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11585625 104070035 CHEMBL207447 ZINC49937663 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002631 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(C)c(Cl)c1 InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38) ASSJTMUEFHUKMJ-UHFFFAOYSA-N 50185979 1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide::CHEMBL207004::TAK-220 C-C chemokine receptor type 5 0.42 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275766 104070043 CHEMBL207004 800 ZINC06718478 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002632 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C30H38Cl2N4O3/c1-21(37)35-17-11-25(12-18-35)30(39)36(26-7-8-27(31)28(32)20-26)14-2-13-34-15-9-23(10-16-34)19-22-3-5-24(6-4-22)29(33)38/h3-8,20,23,25H,2,9-19H2,1H3,(H2,33,38) QZEGJCQISZVRDI-UHFFFAOYSA-N 50185978 1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)piperidine-4-carboxamide::CHEMBL377026 C-C chemokine receptor type 5 2.2 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275765 104070042 CHEMBL377026 ZINC38156562 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002633 CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 InChI=1S/C30H40Cl2N4O4S/c1-33-29(37)24-6-4-22(5-7-24)20-23-10-16-34(17-11-23)14-3-15-36(26-8-9-27(31)28(32)21-26)30(38)25-12-18-35(19-13-25)41(2,39)40/h4-9,21,23,25H,3,10-20H2,1-2H3,(H,33,37) XJNUCGHRHZAATE-UHFFFAOYSA-N 50185969 CHEMBL264832::N-(3,4-dichlorophenyl)-N-(3-{4-[4-(methylcarbamoyl)benzyl]-piperidin-1-yl}propyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 9.8 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185969&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275763 104070033 CHEMBL264832 ZINC38156564 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002634 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H35Cl2FN4O2/c1-20(36)34-17-9-21(10-18-34)28(37)35(25-7-8-26(29)27(30)19-25)14-2-13-33-15-11-24(12-16-33)32-23-5-3-22(31)4-6-23/h3-8,19,21,24,32H,2,9-18H2,1H3 AQKXSWOKSKKJQI-UHFFFAOYSA-N 50185965 1-acetyl-N-(3,4-dichlorophenyl)-N-{3-[4-(4-fluoroanilino)piperidin-1-yl]propyl}piperidine-4-carboxamide::CHEMBL205851 C-C chemokine receptor type 5 26 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185965&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11693007 104070029 CHEMBL205851 ZINC38156572 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002635 CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 InChI=1S/C33H46Cl2N4O4S/c1-33(2,3)36-31(40)26-8-6-24(7-9-26)22-25-12-18-37(19-13-25)16-5-17-39(28-10-11-29(34)30(35)23-28)32(41)27-14-20-38(21-15-27)44(4,42)43/h6-11,23,25,27H,5,12-22H2,1-4H3,(H,36,40) AFKBGLZHUWDUOY-UHFFFAOYSA-N 50185974 CHEMBL205964::N-(3-{4-[4-(tert-butylcarbamoyl)benzyl]piperidin-1-yl}propyl)-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 12 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185974&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11527582 104070038 CHEMBL205964 ZINC49937626 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002636 CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 InChI=1S/C31H42Cl2N4O4S/c1-34(2)30(38)25-7-5-23(6-8-25)21-24-11-17-35(18-12-24)15-4-16-37(27-9-10-28(32)29(33)22-27)31(39)26-13-19-36(20-14-26)42(3,40)41/h5-10,22,24,26H,4,11-21H2,1-3H3 SEVIDRCPHNOAJR-UHFFFAOYSA-N 50185976 CHEMBL205706::N-(3,4-dichlorophenyl)-N-(3-{4-[4-(dimethylcarbamoyl)benzyl]piperidin-1-yl}propyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 8.2 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185976&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275764 104070040 CHEMBL205706 ZINC38156563 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002637 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H34Cl2FN3O4S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)39(37,38)24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3 BQOSWZIEUSNZDS-UHFFFAOYSA-N 50185968 1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)sulfonyl]piperidin-1-yl}propyl)piperidine-4-carboxamide::CHEMBL205539 C-C chemokine receptor type 5 3.9 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185968&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11585418 104070032 CHEMBL205539 ZINC38156573 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002638 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)S(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C28H34Cl2FN3O3S/c1-20(35)33-17-9-21(10-18-33)28(36)34(23-5-8-26(29)27(30)19-23)14-2-13-32-15-11-25(12-16-32)38(37)24-6-3-22(31)4-7-24/h3-8,19,21,25H,2,9-18H2,1H3 MIEWISRGDFUMGE-UHFFFAOYSA-N 50185975 1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)-sulfinyl]piperidin-1-yl}propyl)piperidine-4-carboxamide::CHEMBL207654 C-C chemokine receptor type 5 2.7 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185975&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11577846 104070039 CHEMBL207654 ZINC38156575 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002639 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-17-11-24(12-18-34)29(37)35(25-7-8-26(30)27(31)20-25)14-2-13-33-15-9-22(10-16-33)19-21-3-5-23(6-4-21)28(32)36/h3-8,20,22,24H,2,9-19H2,1H3,(H2,32,36) GUCFYJUDEQEFSH-UHFFFAOYSA-N 50185980 CHEMBL207485::N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 5.8 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275762 104070044 CHEMBL207485 ZINC38156567 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002640 CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H36Cl2FN3O2/c1-21(36)34-17-11-24(12-18-34)29(37)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-25(32)6-4-22/h3-8,20,23-24H,2,9-19H2,1H3 JGUOUIAGQGEANO-UHFFFAOYSA-N 50185972 CHEMBL207182::N-(3-(4-(4-fluorobenzyl)piperidin-1-yl)propyl)-1-acetyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide C-C chemokine receptor type 5 3 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185972&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013684 104070036 CHEMBL207182 ZINC03936184 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002641 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2cccc(c2)C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H38Cl2N4O4S/c1-40(38,39)34-16-10-23(11-17-34)29(37)35(25-6-7-26(30)27(31)20-25)13-3-12-33-14-8-21(9-15-33)18-22-4-2-5-24(19-22)28(32)36/h2,4-7,19-21,23H,3,8-18H2,1H3,(H2,32,36) ACMGXLBBZHJYMG-UHFFFAOYSA-N 50185964 CHEMBL382252::N-{3-[4-(3-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide C-C chemokine receptor type 5 2 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185964&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11570778 104070028 CHEMBL382252 ZINC38156566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002642 COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 InChI=1S/C30H39Cl2N3O5S/c1-40-30(37)25-6-4-22(5-7-25)20-23-10-16-33(17-11-23)14-3-15-35(26-8-9-27(31)28(32)21-26)29(36)24-12-18-34(19-13-24)41(2,38)39/h4-9,21,23-24H,3,10-20H2,1-2H3 XJXVLMRPZYJMPV-UHFFFAOYSA-N 50185970 CHEMBL207301::methyl 4-({1-[3-((3,4-Dichlorophenyl){[1-(methylsulfonyl)-piperidin-4-yl]carbonyl}amino)propyl]piperidin-4-yl}methyl)-benzoate C-C chemokine receptor type 5 7 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185970&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275760 104070034 CHEMBL207301 ZINC38156569 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002643 CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(O)=O)CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C29H37Cl2N3O5S/c1-40(38,39)33-17-11-23(12-18-33)28(35)34(25-7-8-26(30)27(31)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(6-4-21)29(36)37/h3-8,20,22-23H,2,9-19H2,1H3,(H,36,37) WNDVAOQILMPKNL-UHFFFAOYSA-N 50185977 4-({1-[3-((3,4-dichlorophenyl){[1-(methylsulfonyl)piperidin-4-yl]carbonyl}amino)propyl]piperidin-4-yl}methyl)benzoic acid::CHEMBL207633 C-C chemokine receptor type 5 44 ChEMBL 10.1021/jm051034q 10.7270/Q2ZK5G8F 16640339 Imamura, S; Ichikawa, T; Nishikawa, Y; Kanzaki, N; Takashima, K; Niwa, S; Iizawa, Y; Baba, M; Sugihara, Y Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275761 104070041 CHEMBL207633 ZINC38156568 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51001614 CCN(C1CCN(CCC(c2ccc(NC(=O)OC(C)(C)C)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O InChI=1S/C36H46FN3O5S/c1-6-40(34(41)24-26-10-16-32(17-11-26)46(5,43)44)31-18-21-39(22-19-31)23-20-33(28-8-7-9-29(37)25-28)27-12-14-30(15-13-27)38-35(42)45-36(2,3)4/h7-17,25,31,33H,6,18-24H2,1-5H3,(H,38,42) YUJLCHGUGRTDHS-UHFFFAOYSA-N 50410486 CHEMBL2113131 C-C chemokine receptor type 5 89 ChEMBL 10.1016/j.bmcl.2005.08.014 10.7270/Q23R0SFG 16154744 Cumming, JG; Cooper, AE; Grime, K; Logan, CJ; McLaughlin, S; Oldfield, J; Shaw, JS; Tucker, H; Winter, J; Whittaker, D AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410486&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10290194 163359510 CHEMBL2113131 ZINC95607717 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51001155 CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24-,27+/m0/s1 ASRDPULQBHFPGU-WFIHMLKPSA-N 50209971 1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)cyclohexyl)-3-(3-acetylphenyl)urea::CHEMBL250689 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/jm049530m 10.7270/Q2XP74F1 15771462 De Lucca, GV; Kim, UT; Vargo, BJ; Duncia, JV; Santella, JB; Gardner, DS; Zheng, C; Liauw, A; Wang, Z; Emmett, G; Wacker, DA; Welch, PK; Covington, M; Stowell, NC; Wadman, EA; Das, AM; Davies, P; Yeleswaram, S; Graden, DM; Solomon, KA; Newton, RC; Trainor, GL; Decicco, CP; Ko, SS Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11227406 104086617 CHEMBL250689 ZINC06716821 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50997949 CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26- VCJCJIKWNXQAAJ-BXVZCJGGSA-N 50104929 (4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone::(E)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::(E/Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone::CHEMBL112760 C-C chemokine receptor type 5 11 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104929&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479845 104000726 CHEMBL112760 ZINC13474985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50997950 CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1 InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+ KFNRGFZWGOCXDB-TVKQRKNISA-N 50115528 (Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-methyl-1,4'-bipiperidin-1'-yl)(2,6-dimethylphenyl)methanone::CHEMBL324643::{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone C-C chemokine receptor type 5 1.8 ChEMBL 10.1021/jm015526o 10.7270/Q27M0771 11585437 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50115528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50115528&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5479844 104009443 CHEMBL324643 ZINC26841222 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008169 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1cccc(Cl)c1 InChI=1S/C33H43ClN4O/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1 USAXVIXBYKTAEI-KAYWLYCHSA-N 50412735 CHEMBL454251 C-C chemokine receptor type 5 1 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412735&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568906 163361759 CHEMBL454251 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008170 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 InChI=1S/C33H42Cl2N4O2/c1-22-36-29-7-5-6-8-30(29)39(22)26-20-24-10-11-25(21-26)38(24)18-15-33(23-9-12-27(34)28(35)19-23)13-16-37(17-14-33)31(40)41-32(2,3)4/h5-9,12,19,24-26H,10-11,13-18,20-21H2,1-4H3/t24-,25-/m1/s1 OYKWKRULMOLOFA-JWQCQUIFSA-N 50412736 CHEMBL499389 C-C chemokine receptor type 5 29.51 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412736&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568905 163361760 CHEMBL499389 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008171 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccc(Cl)c(Cl)c1 InChI=1S/C33H42Cl2N4O/c1-22-36-29-7-5-6-8-30(29)39(22)26-20-24-10-11-25(21-26)38(24)18-15-33(23-9-12-27(34)28(35)19-23)13-16-37(17-14-33)31(40)32(2,3)4/h5-9,12,19,24-26H,10-11,13-18,20-21H2,1-4H3/t24-,25-/m1/s1 WBMRGUYVKHMYAF-JWQCQUIFSA-N 50412737 CHEMBL501085 C-C chemokine receptor type 5 7.24 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412737&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568904 163361761 CHEMBL501085 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008172 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1cccc(Cl)c1 InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-10-7-11-28(36)22-27)16-19-38(20-17-35)34(41)26-8-3-2-4-9-26/h2-13,22,29-31H,14-21,23-24H2,1H3/t29-,30-/m1/s1 DMPWIWPBMBPTAD-LOYHVIPDSA-N 50412738 CHEMBL445772 C-C chemokine receptor type 5 5.25 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412738&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568903 163361762 CHEMBL445772 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008173 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30-/m1/s1 BMQGIPHCTZAMMW-LOYHVIPDSA-N 50412739 CHEMBL503033 C-C chemokine receptor type 5 5.01 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44593528 163361763 CHEMBL503033 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008174 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-11-14-30(36)31(37)21-26)15-18-39(19-16-35)34(42)25-7-3-2-4-8-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3/t27-,28-/m1/s1 DOGFRBKPJABURT-VSGBNLITSA-N 50412740 CHEMBL507098 C-C chemokine receptor type 5 15.85 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412740&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568902 163361764 CHEMBL507098 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008175 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C1CCCC1)c1ccccc1 InChI=1S/C34H44N4O/c1-25-35-31-13-7-8-14-32(31)38(25)30-23-28-15-16-29(24-30)37(28)22-19-34(27-11-3-2-4-12-27)17-20-36(21-18-34)33(39)26-9-5-6-10-26/h2-4,7-8,11-14,26,28-30H,5-6,9-10,15-24H2,1H3/t28-,29-/m1/s1 GQPFEFJTOGPMSY-FQLXRVMXSA-N 50412741 CHEMBL442933 C-C chemokine receptor type 5 19.95 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412741&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568901 163361765 CHEMBL442933 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008176 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OCc1ccccc1)c1ccccc1 InChI=1S/C36H42N4O2/c1-27-37-33-14-8-9-15-34(33)40(27)32-24-30-16-17-31(25-32)39(30)23-20-36(29-12-6-3-7-13-29)18-21-38(22-19-36)35(41)42-26-28-10-4-2-5-11-28/h2-15,30-32H,16-26H2,1H3/t30-,31-/m1/s1 MRVLFWHAHZIKHJ-FIRIVFDPSA-N 50412742 CHEMBL505270 C-C chemokine receptor type 5 63.1 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412742&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568900 163361766 CHEMBL505270 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008177 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1 InChI=1S/C33H44N4O2/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)39-32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27-/m1/s1 CWWCVNHXIZBXTP-KAYWLYCHSA-N 50412743 CHEMBL503915 C-C chemokine receptor type 5 63.1 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412743&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568899 163361767 CHEMBL503915 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008178 CC(C)(C)OC(=O)N1CCC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)(CC1)c1ccccc1 InChI=1S/C31H42N4O3/c1-29(2,3)38-28(37)34-22-15-30(16-23-34,25-10-6-4-7-11-25)14-19-33-20-17-31(18-21-33)27(36)32-24-35(31)26-12-8-5-9-13-26/h4-13H,14-24H2,1-3H3,(H,32,36) UWHMFSYTOPGDTM-UHFFFAOYSA-N 50412744 CHEMBL492292 C-C chemokine receptor type 5 4570.88 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412744&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25133620 163361768 CHEMBL492292 ZINC40950212 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008179 CC(C)(C)OC(=O)N1CCC(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)(CC1)c1ccccc1 InChI=1S/C32H44N4O3/c1-30(2,3)39-29(38)35-23-16-31(17-24-35,26-11-6-4-7-12-26)15-10-20-34-21-18-32(19-22-34)28(37)33-25-36(32)27-13-8-5-9-14-27/h4-9,11-14H,10,15-25H2,1-3H3,(H,33,37) CIVXUIZMHXDXKK-UHFFFAOYSA-N 50412745 CHEMBL524159 C-C chemokine receptor type 5 8511.38 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412745&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25133619 163361769 CHEMBL524159 ZINC40950210 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008180 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C36H42N4O/c1-27-37-33-15-8-9-16-34(33)40(27)32-25-30-17-18-31(26-32)39(30)22-10-19-36(29-13-6-3-7-14-29)20-23-38(24-21-36)35(41)28-11-4-2-5-12-28/h2-9,11-16,30-32H,10,17-26H2,1H3/t30-,31-/m1/s1 WWGGKYRBPACAIT-FIRIVFDPSA-N 50412746 CHEMBL446241 C-C chemokine receptor type 5 1258.93 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412746&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568881 163361770 CHEMBL446241 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008181 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCCC1(CCN(CC1)C(=O)c1ccco1)c1ccccc1 InChI=1S/C34H40N4O2/c1-25-35-30-11-5-6-12-31(30)38(25)29-23-27-14-15-28(24-29)37(27)19-8-16-34(26-9-3-2-4-10-26)17-20-36(21-18-34)33(39)32-13-7-22-40-32/h2-7,9-13,22,27-29H,8,14-21,23-24H2,1H3/t27-,28-/m1/s1 IUXJXLMGFCINNP-VSGBNLITSA-N 50412747 CHEMBL503711 C-C chemokine receptor type 5 5011.87 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412747&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568880 163361771 CHEMBL503711 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008182 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCCC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1 InChI=1S/C34H46N4O2/c1-25-35-30-13-8-9-14-31(30)38(25)29-23-27-15-16-28(24-29)37(27)20-10-17-34(26-11-6-5-7-12-26)18-21-36(22-19-34)32(39)40-33(2,3)4/h5-9,11-14,27-29H,10,15-24H2,1-4H3/t27-,28-/m1/s1 WFKINWNQILYNCH-VSGBNLITSA-N 50412748 CHEMBL473584 C-C chemokine receptor type 5 >31622.78 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412748&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568878 163361772 CHEMBL473584 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008183 Clc1ccc(cc1Cl)C1(CCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)CCC(=O)N(Cc2ccccc2)C1 InChI=1S/C33H36Cl2N4O2/c34-27-12-11-25(21-28(27)35)33(17-13-31(40)38(23-33)22-24-7-2-1-3-8-24)16-6-18-37-19-14-26(15-20-37)39-30-10-5-4-9-29(30)36-32(39)41/h1-5,7-12,21,26H,6,13-20,22-23H2,(H,36,41) ADXFJIYJEFFOSY-UHFFFAOYSA-N 50070353 1-(1-{3-[1-Benzyl-3-(3,4-dichloro-phenyl)-6-oxo-piperidin-3-yl]-propyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one::CHEMBL26790 C-C chemokine receptor type 5 19952.62 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50070353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50070353&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23294208 103964251 CHEMBL26790 ZINC28765176 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008184 Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCCN(C1)C(=O)c1ccccc1 InChI=1S/C34H38Cl2N4O2/c35-29-14-13-27(23-30(29)36)33(16-8-20-39(24-33)31(41)26-9-3-1-4-10-26)15-7-19-38-21-17-34(18-22-38)32(42)37-25-40(34)28-11-5-2-6-12-28/h1-6,9-14,23H,7-8,15-22,24-25H2,(H,37,42) FOGGPHRLZSNPQN-UHFFFAOYSA-N 50412749 CHEMBL509298 C-C chemokine receptor type 5 446.68 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412749&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25133271 163361773 CHEMBL509298 ZINC42851826 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008185 Clc1ccc(cc1Cl)C1(CCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)CCCN(C1)C(=O)c1ccccc1 InChI=1S/C33H36Cl2N4O2/c34-27-13-12-25(22-28(27)35)33(17-7-19-38(23-33)31(40)24-8-2-1-3-9-24)16-6-18-37-20-14-26(15-21-37)39-30-11-5-4-10-29(30)36-32(39)41/h1-5,8-13,22,26H,6-7,14-21,23H2,(H,36,41) ODPRNYGWGVRXIG-UHFFFAOYSA-N 50070359 1-(1-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one::CHEMBL440465 C-C chemokine receptor type 5 1584.89 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50070359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50070359&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 23294214 103964257 CHEMBL440465 ZINC28764603 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008186 Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCN(Cc2ccco2)C1 InChI=1S/C31H36Cl2N4O2/c32-27-10-9-24(20-28(27)33)30(12-16-36(22-30)21-26-8-4-19-39-26)11-5-15-35-17-13-31(14-18-35)29(38)34-23-37(31)25-6-2-1-3-7-25/h1-4,6-10,19-20H,5,11-18,21-23H2,(H,34,38) JEFCMVCLMZSGMS-UHFFFAOYSA-N 50412750 CHEMBL495297 C-C chemokine receptor type 5 5248.07 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412750&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25130903 163361774 CHEMBL495297 ZINC49881469 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008187 Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCN(C1)C(=O)c1ccco1 InChI=1S/C31H34Cl2N4O3/c32-25-10-9-23(20-26(25)33)30(12-18-36(21-30)28(38)27-8-4-19-40-27)11-5-15-35-16-13-31(14-17-35)29(39)34-22-37(31)24-6-2-1-3-7-24/h1-4,6-10,19-20H,5,11-18,21-22H2,(H,34,39) XNEIHDJRJHCBGO-UHFFFAOYSA-N 50412751 CHEMBL522493 C-C chemokine receptor type 5 141.25 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412751&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10483364 163361775 CHEMBL522493 ZINC14191270 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008188 Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(C(=O)NC3=O)c2ccccc2)CCN(C1)C(=O)c1ccco1 InChI=1S/C31H32Cl2N4O4/c32-24-10-9-22(20-25(24)33)30(12-18-36(21-30)27(38)26-8-4-19-41-26)11-5-15-35-16-13-31(14-17-35)28(39)34-29(40)37(31)23-6-2-1-3-7-23/h1-4,6-10,19-20H,5,11-18,21H2,(H,34,39,40) PNJPLGNSXKMNDR-UHFFFAOYSA-N 50412752 CHEMBL507223 C-C chemokine receptor type 5 >31622.78 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412752&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25130904 163361776 CHEMBL507223 ZINC42835414 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008189 O=C(N1CCC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)(C1)c1ccccc1)c1ccco1 InChI=1S/C30H34N4O3/c35-27(26-12-7-21-37-26)33-20-14-29(22-33,24-8-3-1-4-9-24)13-17-32-18-15-30(16-19-32)28(36)31-23-34(30)25-10-5-2-6-11-25/h1-12,21H,13-20,22-23H2,(H,31,36) IUQZDMXIGQOETI-UHFFFAOYSA-N 50412753 CHEMBL495298 C-C chemokine receptor type 5 9332.54 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412753&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25130571 163361777 CHEMBL495298 ZINC40955730 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008190 Clc1ccc(cc1Cl)C1(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCN(C1)C(=O)c1ccco1 InChI=1S/C30H32Cl2N4O3/c31-24-9-8-22(19-25(24)32)29(11-17-35(20-29)27(37)26-7-4-18-39-26)10-14-34-15-12-30(13-16-34)28(38)33-21-36(30)23-5-2-1-3-6-23/h1-9,18-19H,10-17,20-21H2,(H,33,38) USIXHIUTWLPMNO-UHFFFAOYSA-N 50412754 CHEMBL521699 C-C chemokine receptor type 5 1479.11 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412754&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10053691 163361778 CHEMBL521699 ZINC42878523 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008191 Clc1ccc(cc1Cl)C1(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CN(Cc2ccccc2)C(=O)C1 InChI=1S/C32H34Cl2N4O2/c33-27-12-11-25(19-28(27)34)31(20-29(39)37(22-31)21-24-7-3-1-4-8-24)13-16-36-17-14-32(15-18-36)30(40)35-23-38(32)26-9-5-2-6-10-26/h1-12,19H,13-18,20-23H2,(H,35,40) FBZOHKINQDHYRF-UHFFFAOYSA-N 50412755 CHEMBL495291 C-C chemokine receptor type 5 9332.54 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412755&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25132946 163361779 CHEMBL495291 ZINC49881610 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008192 Clc1ccc(cc1Cl)C1(CCN(C1)S(=O)(=O)c1ccccc1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 InChI=1S/C31H34Cl2N4O4S/c32-27-12-11-24(21-28(27)33)31(15-18-36(22-31)42(39,40)26-9-5-2-6-10-26)41-20-19-35-16-13-30(14-17-35)29(38)34-23-37(30)25-7-3-1-4-8-25/h1-12,21H,13-20,22-23H2,(H,34,38) RXBIVTVHJAPOFO-UHFFFAOYSA-N 50412756 CHEMBL502593 C-C chemokine receptor type 5 20417.38 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412756&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10416552 163361780 CHEMBL502593 ZINC42806416 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008193 Clc1ccc(cc1Cl)C1(CCN(C1)C(=O)c1ccco1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 InChI=1S/C30H32Cl2N4O4/c31-24-9-8-22(19-25(24)32)30(12-15-35(20-30)27(37)26-7-4-17-39-26)40-18-16-34-13-10-29(11-14-34)28(38)33-21-36(29)23-5-2-1-3-6-23/h1-9,17,19H,10-16,18,20-21H2,(H,33,38) AAFIDRUCDKVRAX-UHFFFAOYSA-N 50412757 CHEMBL522158 C-C chemokine receptor type 5 3981.07 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412757&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10371054 163361781 CHEMBL522158 ZINC42889563 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008194 Clc1ccc(cc1Cl)C1(CCN(CC1)S(=O)(=O)c1ccccc1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 InChI=1S/C32H36Cl2N4O4S/c33-28-12-11-25(23-29(28)34)32(15-19-37(20-16-32)43(40,41)27-9-5-2-6-10-27)42-22-21-36-17-13-31(14-18-36)30(39)35-24-38(31)26-7-3-1-4-8-26/h1-12,23H,13-22,24H2,(H,35,39) IMAJGQONDPJLSO-UHFFFAOYSA-N 50412758 CHEMBL448199 C-C chemokine receptor type 5 2398.83 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412758&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25132945 163361782 CHEMBL448199 ZINC49833566 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008195 Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(CCN(C1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 InChI=1S/C32H40Cl2N4O2/c1-21-35-28-7-5-6-8-29(28)38(21)25-18-23-10-11-24(19-25)37(23)16-14-32(22-9-12-26(33)27(34)17-22)13-15-36(20-32)30(39)40-31(2,3)4/h5-9,12,17,23-25H,10-11,13-16,18-20H2,1-4H3/t23-,24-,32?/m0/s1 ICSKIEUWVASLGU-JSCCISODSA-N 50412759 CHEMBL491483 C-C chemokine receptor type 5 776.25 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412759&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568908 163361783 CHEMBL491483 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008196 Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CN(C1)S(=O)(=O)c1ccccc1 InChI=1S/C31H34Cl2N4O3S/c32-27-13-12-24(20-28(27)33)30(21-36(22-30)41(39,40)26-10-5-2-6-11-26)14-7-17-35-18-15-31(16-19-35)29(38)34-23-37(31)25-8-3-1-4-9-25/h1-6,8-13,20H,7,14-19,21-23H2,(H,34,38) TVSZCWAGXHBDIO-UHFFFAOYSA-N 50412760 CHEMBL501077 C-C chemokine receptor type 5 9120.11 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412760&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10008921 163361784 CHEMBL501077 ZINC42804472 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008197 Clc1ccc(cc1Cl)C1(CCN(CC1)C(=O)c1ccco1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 InChI=1S/C31H34Cl2N4O4/c32-25-9-8-23(21-26(25)33)31(12-16-36(17-13-31)28(38)27-7-4-19-40-27)41-20-18-35-14-10-30(11-15-35)29(39)34-22-37(30)24-5-2-1-3-6-24/h1-9,19,21H,10-18,20,22H2,(H,34,39) FVVHYUGPXSRXAE-UHFFFAOYSA-N 50412761 CHEMBL500523 C-C chemokine receptor type 5 3467.37 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412761&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25130569 163361785 CHEMBL500523 ZINC42805082 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008198 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OC(C)(C)C)c1cccc(Cl)c1 InChI=1S/C33H43ClN4O2/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)40-32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1 QXTAYJOITNMSIV-KAYWLYCHSA-N 50412762 CHEMBL444938 C-C chemokine receptor type 5 5.01 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412762&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568907 163361786 CHEMBL444938 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008199 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30-/m1/s1 BMQGIPHCTZAMMW-LOYHVIPDSA-N 50412739 CHEMBL503033 C-C chemokine receptor type 5 35.48 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412739&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44593528 163361763 CHEMBL503033 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008200 Cc1nc2ccccc2n1C1CC2COCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C35H40N4O2/c1-26-36-32-14-8-9-15-33(32)39(26)29-22-30-24-41-25-31(23-29)38(30)21-18-35(28-12-6-3-7-13-28)16-19-37(20-17-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3 YQHDCGHQUINOSM-UHFFFAOYSA-N 50412763 CHEMBL505556 C-C chemokine receptor type 5 >3162.28 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412763&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568898 163361787 CHEMBL505556 ZINC42834452 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008201 CC(C)(C)OC(=O)N1CCC(CCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)(CC1)c1ccc(Cl)c(Cl)c1 InChI=1S/C31H40Cl2N4O3/c1-30(2,3)40-29(39)36-19-14-31(15-20-36,22-9-10-24(32)25(33)21-22)13-6-16-35-17-11-23(12-18-35)37-27-8-5-4-7-26(27)34-28(37)38/h4-5,7-10,21,23H,6,11-20H2,1-3H3,(H,34,38) OWURYQDBCNDEQC-UHFFFAOYSA-N 50412764 CHEMBL492854 C-C chemokine receptor type 5 7943.28 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412764&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25133618 163361788 CHEMBL492854 ZINC49881617 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008202 Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCCC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 InChI=1S/C34H44Cl2N4O2/c1-23-37-30-8-5-6-9-31(30)40(23)27-21-25-11-12-26(22-27)39(25)17-7-14-34(24-10-13-28(35)29(36)20-24)15-18-38(19-16-34)32(41)42-33(2,3)4/h5-6,8-10,13,20,25-27H,7,11-12,14-19,21-22H2,1-4H3/t25-,26-/m1/s1 FIRZNJXYNWMNLA-CLJLJLNGSA-N 50412765 CHEMBL453404 C-C chemokine receptor type 5 19952.62 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412765&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44568879 163361789 CHEMBL453404 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008203 Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCC(=O)N(Cc2ccccc2)C1 InChI=1S/C34H38Cl2N4O2/c35-29-13-12-27(22-30(29)36)33(16-14-31(41)39(24-33)23-26-8-3-1-4-9-26)15-7-19-38-20-17-34(18-21-38)32(42)37-25-40(34)28-10-5-2-6-11-28/h1-6,8-13,22H,7,14-21,23-25H2,(H,37,42) XSVMXTIGTBKCGV-UHFFFAOYSA-N 50412766 CHEMBL503631 C-C chemokine receptor type 5 1000 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412766&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 15485365 163361790 CHEMBL503631 ZINC42802926 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008204 NC(=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1 InChI=1S/C33H38Cl2N4O2/c34-28-14-13-26(23-29(28)35)32(16-8-20-39(24-32)30(40)25-9-3-1-4-10-25)15-7-19-38-21-17-33(18-22-38,31(36)41)37-27-11-5-2-6-12-27/h1-6,9-14,23,37H,7-8,15-22,24H2,(H2,36,41) HGSGHCYSIWGOHG-UHFFFAOYSA-N 50412767 CHEMBL454841 C-C chemokine receptor type 5 >31622.78 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412767&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25131220 163361791 CHEMBL454841 ZINC44352261 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008205 CN1CN(c2ccccc2)C2(CCN(CCCC3(CCN(C3)C(=O)c3ccco3)c3ccc(Cl)c(Cl)c3)CC2)C1=O InChI=1S/C32H36Cl2N4O3/c1-35-23-38(25-7-3-2-4-8-25)32(30(35)40)14-17-36(18-15-32)16-6-12-31(24-10-11-26(33)27(34)21-24)13-19-37(22-31)29(39)28-9-5-20-41-28/h2-5,7-11,20-21H,6,12-19,22-23H2,1H3 WMULPHWGLXROBK-UHFFFAOYSA-N 50412768 CHEMBL444915 C-C chemokine receptor type 5 7079.46 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412768&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25133270 163361792 CHEMBL444915 ZINC44305459 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008206 Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)C2CCCCC2)CCN(C1)C(=O)c1ccco1 InChI=1S/C31H40Cl2N4O3/c32-25-10-9-23(20-26(25)33)30(12-18-36(21-30)28(38)27-8-4-19-40-27)11-5-15-35-16-13-31(14-17-35)29(39)34-22-37(31)24-6-2-1-3-7-24/h4,8-10,19-20,24H,1-3,5-7,11-18,21-22H2,(H,34,39) PKQUEUZCMXKNLH-UHFFFAOYSA-N 50412769 CHEMBL493884 C-C chemokine receptor type 5 >31622.78 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412769&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25132948 163361793 CHEMBL493884 ZINC49881668 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002477 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1nncn1CCC InChI=1S/C40H51N5O4S/c1-5-7-22-48-23-24-49-36-15-10-31(11-16-36)32-12-19-38-34(25-32)26-33(9-8-21-44(38)27-30(3)4)40(46)42-35-13-17-37(18-14-35)50(47)28-39-43-41-29-45(39)20-6-2/h10-19,25-26,29-30H,5-9,20-24,27-28H2,1-4H3,(H,42,46) AQXIPTPSJDOCRP-UHFFFAOYSA-N 50184396 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL203536 C-C chemokine receptor type 5 0.19 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184396&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275751 104068770 CHEMBL203536 ZINC28569500 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002478 CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C40H50N4O4S/c1-4-7-23-47-24-25-48-37-15-10-31(11-16-37)32-12-19-39-34(26-32)27-33(9-8-22-43(39)20-5-2)40(45)42-35-13-17-38(18-14-35)49(46)29-36-28-41-30-44(36)21-6-3/h10-19,26-28,30H,4-9,20-25,29H2,1-3H3,(H,42,45) NULMTHNUHZPDMN-UHFFFAOYSA-N 50184398 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL380447 C-C chemokine receptor type 5 0.24 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184398&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275747 104068772 CHEMBL380447 ZINC28569985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002480 CCCCOCCOc1ccc(cc1)-c1ccc2N(Cc3cnn(C)c3)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C42H50N6O4S/c1-4-6-21-51-22-23-52-39-14-9-33(10-15-39)34-11-18-41-36(24-34)25-35(8-7-20-47(41)29-32-26-44-46(3)28-32)42(49)45-37-12-16-40(17-13-37)53(50)30-38-27-43-31-48(38)19-5-2/h9-18,24-28,31H,4-8,19-23,29-30H2,1-3H3,(H,45,49) OTCWDIPDRRZBOS-UHFFFAOYSA-N 50184399 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]-sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL204743 C-C chemokine receptor type 5 2.3 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184399&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275749 104068773 CHEMBL204743 ZINC28570582 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002481 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C40H50N4O4S/c1-5-7-21-47-22-23-48-37-13-8-31(9-14-37)32-10-17-39-34(24-32)25-33(18-20-43(39)27-30(3)4)40(45)42-35-11-15-38(16-12-35)49(46)28-36-26-41-29-44(36)19-6-2/h8-17,24-26,29-30H,5-7,18-23,27-28H2,1-4H3,(H,42,45) RRVNVNTZDUESSJ-UHFFFAOYSA-N 50184403 7-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-((1-propyl-1H-imidazol-5-yl)methylsulfinyl)phenyl)-2,3-dihydro-1H-benzo[b]azepine-4-carboxamide::CHEMBL204821 C-C chemokine receptor type 5 1 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184403&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013575 104068777 CHEMBL204821 801 ZINC28570775 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002482 CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1nncn1CCC InChI=1S/C39H49N5O4S/c1-4-7-23-47-24-25-48-35-15-10-30(11-16-35)31-12-19-37-33(26-31)27-32(9-8-22-43(37)20-5-2)39(45)41-34-13-17-36(18-14-34)49(46)28-38-42-40-29-44(38)21-6-3/h10-19,26-27,29H,4-9,20-25,28H2,1-3H3,(H,41,45) HLGPSXKLUNQPCL-UHFFFAOYSA-N 50184402 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-(4-{[(4-propyl-4H-1,2,4-tri azol-3-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL202814 C-C chemokine receptor type 5 0.95 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184402&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 20846071 104068776 CHEMBL202814 ZINC28572088 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002483 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C42H54N4O4S/c1-5-7-23-49-24-25-50-39-16-11-33(12-17-39)34-13-20-41-36(26-34)27-35(10-8-9-22-45(41)29-32(3)4)42(47)44-37-14-18-40(19-15-37)51(48)30-38-28-43-31-46(38)21-6-2/h11-20,26-28,31-32H,5-10,21-25,29-30H2,1-4H3,(H,44,47) WQPGTNCTYYTOEZ-UHFFFAOYSA-N 50184400 (S)-(-)-9-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazonine-6-carboxamide::CHEMBL437302 C-C chemokine receptor type 5 0.48 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184400&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275743 104068774 CHEMBL437302 ZINC28572018 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002484 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C40H50N4O4S/c1-5-7-21-47-22-23-48-37-13-8-31(9-14-37)32-10-17-39-34(24-32)25-33(18-20-43(39)27-30(3)4)40(45)42-35-11-15-38(16-12-35)49(46)28-36-26-41-29-44(36)19-6-2/h8-17,24-26,29-30H,5-7,18-23,27-28H2,1-4H3,(H,42,45) RRVNVNTZDUESSJ-UHFFFAOYSA-N 50184403 7-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-((1-propyl-1H-imidazol-5-yl)methylsulfinyl)phenyl)-2,3-dihydro-1H-benzo[b]azepine-4-carboxamide::CHEMBL204821 C-C chemokine receptor type 5 5.3 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184403&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3013575 104068777 CHEMBL204821 801 ZINC28570775 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002485 CCCCOCCOc1ccc(cc1)-c1ccc2N(Cc3cnn(C)c3)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C42H50N6O4S/c1-4-6-21-51-22-23-52-39-14-9-33(10-15-39)34-11-18-41-36(24-34)25-35(8-7-20-47(41)29-32-26-44-46(3)28-32)42(49)45-37-12-16-40(17-13-37)53(50)30-38-27-43-31-48(38)19-5-2/h9-18,24-28,31H,4-8,19-23,29-30H2,1-3H3,(H,45,49) OTCWDIPDRRZBOS-UHFFFAOYSA-N 50184399 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]-sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL204743 C-C chemokine receptor type 5 0.21 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184399&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275749 104068773 CHEMBL204743 ZINC28570582 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002486 Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 XNHZXMPLVSJQFK-UHFFFAOYSA-O 50088301 (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride::(TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::CHEMBL41275::CHEMBL64322::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride::Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)::N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride::TAK-779 C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088301&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 183790 103987225 CHEMBL41275CHEMBL64322 ZINC01996578 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002487 CCCCOCCOc1ccc(cc1)-c1ccc2N(CCC)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C40H50N4O4S/c1-4-7-23-47-24-25-48-37-15-10-31(11-16-37)32-12-19-39-34(26-32)27-33(9-8-22-43(39)20-5-2)40(45)42-35-13-17-38(18-14-35)49(46)29-36-28-41-30-44(36)21-6-3/h10-19,26-28,30H,4-9,20-25,29H2,1-3H3,(H,42,45) NULMTHNUHZPDMN-UHFFFAOYSA-N 50184398 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-propyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL380447 C-C chemokine receptor type 5 1.4 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184398&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275747 104068772 CHEMBL380447 ZINC28569985 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51002489 CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC InChI=1S/C42H54N4O4S/c1-5-7-23-49-24-25-50-39-16-11-33(12-17-39)34-13-20-41-36(26-34)27-35(10-8-9-22-45(41)29-32(3)4)42(47)44-37-14-18-40(19-15-37)51(48)30-38-28-43-31-46(38)21-6-2/h11-20,26-28,31-32H,5-10,21-25,29-30H2,1-4H3,(H,44,47) WQPGTNCTYYTOEZ-UHFFFAOYSA-N 50184400 (S)-(-)-9-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazonine-6-carboxamide::CHEMBL437302 C-C chemokine receptor type 5 2.1 ChEMBL 10.1021/jm0509703 10.7270/Q23N2303 16539392 Seto, M; Aikawa, K; Miyamoto, N; Aramaki, Y; Kanzaki, N; Takashima, K; Kuze, Y; Iizawa, Y; Baba, M; Shiraishi, M Takeda Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50184400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50184400&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 5275743 104068774 CHEMBL437302 ZINC28572018 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008207 Clc1ccc(cc1Cl)C1(CCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CN(Cc2ccccc2)C(=O)C1 InChI=1S/C33H36Cl2N4O2/c34-28-13-12-26(20-29(28)35)32(21-30(40)38(23-32)22-25-8-3-1-4-9-25)14-7-17-37-18-15-33(16-19-37)31(41)36-24-39(33)27-10-5-2-6-11-27/h1-6,8-13,20H,7,14-19,21-24H2,(H,36,41) RVQFDCYLUPNTJZ-UHFFFAOYSA-N 50412770 CHEMBL449125 C-C chemokine receptor type 5 1023.29 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412770&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10393635 163361794 CHEMBL449125 ZINC44350935 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008208 Clc1ccc(cc1Cl)C1(CCN(C1)C(=O)C1CCCC1)OCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 InChI=1S/C31H38Cl2N4O3/c32-26-11-10-24(20-27(26)33)31(14-17-36(21-31)28(38)23-6-4-5-7-23)40-19-18-35-15-12-30(13-16-35)29(39)34-22-37(30)25-8-2-1-3-9-25/h1-3,8-11,20,23H,4-7,12-19,21-22H2,(H,34,39) BDGIQNNCLSFLPH-UHFFFAOYSA-N 50412771 CHEMBL521529 C-C chemokine receptor type 5 4786.3 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412771&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 10008490 163361795 CHEMBL521529 ZINC42888342 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51008209 CC(C)(C)OC(=O)N1CCC(CCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)(CC1)c1ccccc1 InChI=1S/C31H42N4O3/c1-30(2,3)38-29(37)34-22-17-31(18-23-34,24-10-5-4-6-11-24)16-9-19-33-20-14-25(15-21-33)35-27-13-8-7-12-26(27)32-28(35)36/h4-8,10-13,25H,9,14-23H2,1-3H3,(H,32,36) RVPAZHRBJKDRHU-UHFFFAOYSA-N 50412772 CHEMBL492897 C-C chemokine receptor type 5 3981.07 ChEMBL 10.1021/jm800598a 10.7270/Q2WS8VG8 18811134 Kazmierski, WM; Aquino, C; Chauder, BA; Deanda, F; Ferris, R; Jones-Hertzog, DK; Kenakin, T; Koble, CS; Watson, C; Wheelan, P; Yang, H; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412772&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25131902 163361796 CHEMBL492897 ZINC40956802 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50998205 [I-].CC[N+]1(C\C2=C\CCCCCC2)CC[C@@H](CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34?; FOAFBMYSXIGAOX-CJCAHDPRSA-N 50098624 1-Cyclooct-1-enylmethyl-4-[(2,7-dichloro-9H-xanthene-9-carbonyl)-amino]-1-ethyl-piperidinium; iodide::CHEMBL34626 C-C chemokine receptor type 5 >1000 ChEMBL 10.1021/jm0004244 10.7270/Q2G73D0G 11311066 Naya, A; Sagara, Y; Ohwaki, K; Saeki, T; Ichikawa, D; Iwasawa, Y; Noguchi, K; Ohtake, N Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50098624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50098624&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6918496 103995616 CHEMBL34626 ZINC13862637 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50524645 CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 InChI=1S/C21H25Cl2N5O3S/c1-14-4-8-28(9-5-14)21(29)19(6-10-27-7-2-3-15(27)13-24)26-32(30,31)16-11-17(22)20(25)18(23)12-16/h2-3,7,11-12,14,19,26H,4-6,8-10,25H2,1H3 ZYSPBBJRIQHKDF-UHFFFAOYSA-N 50198920 CHEMBL3951018 C-C chemokine receptor type 5 <10000 ChEMBL 10.1016/j.bmcl.2016.09.047 10.7270/Q2KD20WF 27692854 Abeywardane, A; Caviness, G; Choi, Y; Cogan, D; Gao, A; Goldberg, D; Heim-Riether, A; Jeanfavre, D; Klein, E; Kowalski, JA; Mao, W; Miller, C; Moss, N; Ramsden, P; Raymond, E; Skow, D; Smith-Keenan, L; Snow, RJ; Wu, F; Wu, JP; Yu, Y Boehringer Ingelheim Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198920&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 58509213 375978430 CHEMBL3951018 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50524599 CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12 InChI=1S/C23H27N5O3S/c1-17-8-13-28(14-9-17)23(29)21(10-15-27-12-3-4-18(27)16-24)26-32(30,31)22-6-2-5-20-19(22)7-11-25-20/h2-7,11-12,17,21,25-26H,8-10,13-15H2,1H3 BRJXJOWXAFLRTE-UHFFFAOYSA-N 50198921 CHEMBL3889627 C-C chemokine receptor type 5 <10000 ChEMBL 10.1016/j.bmcl.2016.09.047 10.7270/Q2KD20WF 27692854 Abeywardane, A; Caviness, G; Choi, Y; Cogan, D; Gao, A; Goldberg, D; Heim-Riether, A; Jeanfavre, D; Klein, E; Kowalski, JA; Mao, W; Miller, C; Moss, N; Ramsden, P; Raymond, E; Skow, D; Smith-Keenan, L; Snow, RJ; Wu, F; Wu, JP; Yu, Y Boehringer Ingelheim Pharmaceuticals Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198921&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44252324 375978431 CHEMBL3889627 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51020219 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m0/s1 GWNOTCOIYUNTQP-URLMMPGGSA-N 50336347 4-(4-(((S)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668021 C-C chemokine receptor type 5 380.19 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336347&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 11947758 125086449 CHEMBL1668021 C03491 ZINC65731166 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51020220 CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m0/s1 GWNOTCOIYUNTQP-VMPREFPWSA-N 50336348 4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668022 C-C chemokine receptor type 5 446.68 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336348&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 6320546 125086450 CHEMBL1668022 C03491 ZINC66079271 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51020221 CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 InChI=1S/C29H39N3O3/c1-4-5-17-32-27(33)26(20-22(2)3)30-28(34)29(32)15-18-31(19-16-29)21-23-11-13-25(14-12-23)35-24-9-7-6-8-10-24/h6-14,22,26H,4-5,15-21H2,1-3H3,(H,30,34) SBPSJQLYVXFZFV-UHFFFAOYSA-N 50190520 (RS)-1-butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride::1-butyl-3-(2-methylpropyl)-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::1-butyl-3-isobutyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL537424::rac-1-Butyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride C-C chemokine receptor type 5 851.14 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190520&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 491775 104073811 CHEMBL537424 ZINC28817813 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51020222 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C InChI=1S/C29H39N3O4/c1-4-5-17-32-27(34)25(26(33)21(2)3)30-28(35)29(32)15-18-31(19-16-29)20-22-11-13-24(14-12-22)36-23-9-7-6-8-10-23/h6-14,21,25-26,33H,4-5,15-20H2,1-3H3,(H,30,35)/t25-,26-/m1/s1 WUTCDIFLPLKLBC-CLJLJLNGSA-N 50198939 (R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL559168 C-C chemokine receptor type 5 229.09 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198939&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16659334 104079717 CHEMBL559168 ZINC28817814 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51020225 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 GWNOTCOIYUNTQP-FQLXRVMXSA-N 50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019 C-C chemokine receptor type 5 5.62 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336345&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3001322 125086447 CHEMBL1668019 C03491 ZINC03990418 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51020226 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m1/s1 GWNOTCOIYUNTQP-WDYNHAJCSA-N 50336346 4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668020 C-C chemokine receptor type 5 181.97 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336346&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53324598 125086448 CHEMBL1668020 C03491 ZINC66074082 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51020223 CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1 InChI=1S/C32H43N3O4/c1-2-3-20-35-30(37)28(29(36)25-10-6-4-7-11-25)33-31(38)32(35)18-21-34(22-19-32)23-24-14-16-27(17-15-24)39-26-12-8-5-9-13-26/h5,8-9,12-17,25,28-29,36H,2-4,6-7,10-11,18-23H2,1H3,(H,33,38)/t28-,29-/m1/s1 KABRIFIVQZQNHA-FQLXRVMXSA-N 50198936 (R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536754 C-C chemokine receptor type 5 7.76 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198936&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16728787 104079714 CHEMBL536754 C03491 ZINC28817819 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51020224 CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1 InChI=1S/C33H43N3O5/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-32(40)33(36)17-20-35(21-18-33)23-25-9-13-27(14-10-25)41-28-15-11-26(12-16-28)31(38)39/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,40)(H,38,39)/t29-/m0/s1 YTCAJFHLKWZALU-LJAQVGFWSA-N 50322288 4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)benzoic acid hydrochloride::CHEMBL1170878 C-C chemokine receptor type 5 87.1 ChEMBL 10.1016/j.bmcl.2010.12.109 10.7270/Q24T6JP0 21256008 Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Ono Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50322288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50322288&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 21064283 104143817 CHEMBL1170878 ZINC53230198 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021970 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30+,31+ BMQGIPHCTZAMMW-YHTXFFTCSA-N 50418489 CHEMBL1784384 C-C chemokine receptor type 5 15.85 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418489&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 25132254 163367513 CHEMBL1784384 ZINC71294870 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021971 Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 InChI=1S/C33H44N4O/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28+ SBQOMISLKZTLHT-KUMHGWDASA-N 50418490 CHEMBL1784385 C-C chemokine receptor type 5 0.355 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418490&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 53260398 163367514 CHEMBL1784385 ZINC71295305 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021972 Cc1nc2ccccc2n1C1CC2CCC(C1)N2C(=O)CC1(CCN(CC1)C(=O)c1ccccc1C(O)=O)c1ccccc1 InChI=1S/C36H38N4O4/c1-24-37-31-13-7-8-14-32(31)39(24)28-21-26-15-16-27(22-28)40(26)33(41)23-36(25-9-3-2-4-10-25)17-19-38(20-18-36)34(42)29-11-5-6-12-30(29)35(43)44/h2-14,26-28H,15-23H2,1H3,(H,43,44) OCODBOVHAUUCAN-UHFFFAOYSA-N 50418491 CHEMBL1784387 C-C chemokine receptor type 5 >3162.28 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418491&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54583048 163367515 CHEMBL1784387 ZINC71341942 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021973 Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC(=O)C1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 InChI=1S/C33H42N4O2/c1-23-34-28-12-8-9-13-29(28)37(23)27-20-25-14-15-26(21-27)36(25)22-30(38)33(24-10-6-5-7-11-24)16-18-35(19-17-33)31(39)32(2,3)4/h5-13,25-27H,14-22H2,1-4H3 LCKPDYGWOISVFA-UHFFFAOYSA-N 50418492 CHEMBL1784388 C-C chemokine receptor type 5 1778.28 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418492&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54583049 163367516 CHEMBL1784388 ZINC71281524 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021974 O=C(N1CCC(CCN2C3CCC2CC(C3)Nc2ccccc2)(CC1)c1ccccc1)c1ccccc1 InChI=1S/C33H39N3O/c37-32(26-10-4-1-5-11-26)35-21-18-33(19-22-35,27-12-6-2-7-13-27)20-23-36-30-16-17-31(36)25-29(24-30)34-28-14-8-3-9-15-28/h1-15,29-31,34H,16-25H2 LKOYSKNIRKUEBU-UHFFFAOYSA-N 50418493 CHEMBL1784389 C-C chemokine receptor type 5 >3162.28 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418493&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54585004 163367517 CHEMBL1784389 ZINC71282310 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021975 O=C(N1CCC(CCN2C3CCC2CC(C3)NCc2ccccc2)(CC1)c1ccccc1)c1ccccc1 InChI=1S/C34H41N3O/c38-33(28-12-6-2-7-13-28)36-21-18-34(19-22-36,29-14-8-3-9-15-29)20-23-37-31-16-17-32(37)25-30(24-31)35-26-27-10-4-1-5-11-27/h1-15,30-32,35H,16-26H2 MNGMBRZCVAONNK-UHFFFAOYSA-N 50418494 CHEMBL1784390 C-C chemokine receptor type 5 >3162.28 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418494&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54584051 163367518 CHEMBL1784390 ZINC71280641 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021976 O=C(N1CCC(CCN2C3CCC2CC(C3)n2c3ccccc3[nH]c2=O)(CC1)c1ccccc1)c1ccccc1 InChI=1S/C34H38N4O2/c39-32(25-9-3-1-4-10-25)36-20-17-34(18-21-36,26-11-5-2-6-12-26)19-22-37-27-15-16-28(37)24-29(23-27)38-31-14-8-7-13-30(31)35-33(38)40/h1-14,27-29H,15-24H2,(H,35,40) FUXFIESUNZUREI-UHFFFAOYSA-N 50418495 CHEMBL1784394 C-C chemokine receptor type 5 >3162.28 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418495&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581069 163367519 CHEMBL1784394 ZINC71282175 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021977 O=C(N1CCC(CCN2C3CCC2CC(C3)n2cnc3ccccc23)(CC1)c1ccccc1)c1ccccc1 InChI=1S/C34H38N4O/c39-33(26-9-3-1-4-10-26)36-20-17-34(18-21-36,27-11-5-2-6-12-27)19-22-37-28-15-16-29(37)24-30(23-28)38-25-35-31-13-7-8-14-32(31)38/h1-14,25,28-30H,15-24H2 JKXLUFISEVGJNN-UHFFFAOYSA-N 50418496 CHEMBL1784395 C-C chemokine receptor type 5 398.11 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418496&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54584052 163367520 CHEMBL1784395 ZINC71295443 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021978 Nc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C34H39N5O/c35-33-36-30-13-7-8-14-31(30)39(33)29-23-27-15-16-28(24-29)38(27)22-19-34(26-11-5-2-6-12-26)17-20-37(21-18-34)32(40)25-9-3-1-4-10-25/h1-14,27-29H,15-24H2,(H2,35,36) HHXBZMLYKPYBGU-UHFFFAOYSA-N 50418497 CHEMBL1784396 C-C chemokine receptor type 5 257.04 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418497&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54582104 163367521 CHEMBL1784396 ZINC71281522 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021979 FC(F)(F)c1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C35H37F3N4O/c36-35(37,38)33-39-30-13-7-8-14-31(30)42(33)29-23-27-15-16-28(24-29)41(27)22-19-34(26-11-5-2-6-12-26)17-20-40(21-18-34)32(43)25-9-3-1-4-10-25/h1-14,27-29H,15-24H2 WTGRFZKHPVCTAR-UHFFFAOYSA-N 50418498 CHEMBL1784398 C-C chemokine receptor type 5 100 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418498&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54584053 163367522 CHEMBL1784398 ZINC71294244 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021980 Cc1nc2cc(F)ccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C35H39FN4O/c1-25-37-32-22-28(36)12-15-33(32)40(25)31-23-29-13-14-30(24-31)39(29)21-18-35(27-10-6-3-7-11-27)16-19-38(20-17-35)34(41)26-8-4-2-5-9-26/h2-12,15,22,29-31H,13-14,16-21,23-24H2,1H3 SGXJYRHEFMZKBV-UHFFFAOYSA-N 50418499 CHEMBL1784400 C-C chemokine receptor type 5 10 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418499&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54582105 163367523 CHEMBL1784400 ZINC71294460 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021981 Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C34H39N5O/c1-25-36-31-13-8-19-35-32(31)39(25)30-23-28-14-15-29(24-30)38(28)22-18-34(27-11-6-3-7-12-27)16-20-37(21-17-34)33(40)26-9-4-2-5-10-26/h2-13,19,28-30H,14-18,20-24H2,1H3 DRHNCCCPDIGDNF-UHFFFAOYSA-N 50418500 CHEMBL1784401 C-C chemokine receptor type 5 19.95 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418500&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54580081 163367524 CHEMBL1784401 ZINC71295300 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021982 COc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C35H40N4O2/c1-41-34-36-31-14-8-9-15-32(31)39(34)30-24-28-16-17-29(25-30)38(28)23-20-35(27-12-6-3-7-13-27)18-21-37(22-19-35)33(40)26-10-4-2-5-11-26/h2-15,28-30H,16-25H2,1H3 SZAANLLMNABGDA-UHFFFAOYSA-N 50418501 CHEMBL1784402 C-C chemokine receptor type 5 251.19 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418501&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54580082 163367525 CHEMBL1784402 ZINC71294987 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021983 CCOc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C36H42N4O2/c1-2-42-35-37-32-15-9-10-16-33(32)40(35)31-25-29-17-18-30(26-31)39(29)24-21-36(28-13-7-4-8-14-28)19-22-38(23-20-36)34(41)27-11-5-3-6-12-27/h3-16,29-31H,2,17-26H2,1H3 FMKILCPRKFXDED-UHFFFAOYSA-N 50418502 CHEMBL1784403 C-C chemokine receptor type 5 1995.26 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418502&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581071 163367526 CHEMBL1784403 ZINC71296032 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021984 Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 InChI=1S/C35H39FN4O/c1-25-37-32-9-5-6-10-33(32)40(25)31-23-29-15-16-30(24-31)39(29)22-19-35(27-7-3-2-4-8-27)17-20-38(21-18-35)34(41)26-11-13-28(36)14-12-26/h2-14,29-31H,15-24H2,1H3 RHNDDANSHAHRMU-UHFFFAOYSA-N 50418503 CHEMBL1784478 C-C chemokine receptor type 5 177.83 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418503&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54580093 163367527 CHEMBL1784478 ZINC71294444 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021985 Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(F)c(F)c1)c1ccccc1 InChI=1S/C35H38F2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-7-3-2-4-8-26)15-18-39(19-16-35)34(42)25-11-14-30(36)31(37)21-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3 IYGVPYIYKUYUKP-UHFFFAOYSA-N 50418504 CHEMBL1784480 C-C chemokine receptor type 5 31.62 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418504&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54584058 163367528 CHEMBL1784480 ZINC71294387 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021986 Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(Cl)c1)c1ccccc1 InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-9-3-2-4-10-27)16-19-38(20-17-35)34(41)26-8-7-11-28(36)22-26/h2-13,22,29-31H,14-21,23-24H2,1H3 VWICMIXPVPBSFH-UHFFFAOYSA-N 50418505 CHEMBL1784481 C-C chemokine receptor type 5 5.01 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418505&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54584059 163367529 CHEMBL1784481 ZINC71281785 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51021987 Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1 InChI=1S/C36H39F3N4O/c1-25-40-32-9-5-6-10-33(32)43(25)31-23-29-15-16-30(24-31)42(29)22-19-35(27-7-3-2-4-8-27)17-20-41(21-18-35)34(44)26-11-13-28(14-12-26)36(37,38)39/h2-14,29-31H,15-24H2,1H3 HTCRWUGPSVKEOD-UHFFFAOYSA-N 50418506 CHEMBL1784482 C-C chemokine receptor type 5 >3162.28 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418506&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54585972 163367530 CHEMBL1784482 ZINC71280825 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51022023 CNc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C35H41N5O/c1-36-34-37-31-14-8-9-15-32(31)40(34)30-24-28-16-17-29(25-30)39(28)23-20-35(27-12-6-3-7-13-27)18-21-38(22-19-35)33(41)26-10-4-2-5-11-26/h2-15,28-30H,16-25H2,1H3,(H,36,37) DJZPIUMKFAGORF-UHFFFAOYSA-N 50418540 CHEMBL1784397 C-C chemokine receptor type 5 251.19 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418540&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54585963 163367564 CHEMBL1784397 ZINC71281441 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51022024 Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-7-3-2-4-8-26)15-18-39(19-16-35)34(42)25-11-14-30(36)31(37)21-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3 IFPACHFGQGQBDX-UHFFFAOYSA-N 50418541 CHEMBL1784479 C-C chemokine receptor type 5 15.85 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418541&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54582110 163367565 CHEMBL1784479 ZINC71295528 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51022027 Cc1nc2ccccc2n1C1CC2CCC(C1)C2NCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 InChI=1S/C33H44N4O/c1-23-35-28-12-8-9-13-29(28)37(23)27-20-24-14-15-25(21-27)30(24)34-22-33(26-10-6-5-7-11-26)16-18-36(19-17-33)31(38)32(2,3)4/h5-13,24-25,27,30,34H,14-22H2,1-4H3 KSYVEASKOQESOA-UHFFFAOYSA-N 50418544 CHEMBL1784386 C-C chemokine receptor type 5 2238.72 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418544&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54580080 163367568 CHEMBL1784386 ZINC71294888 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51022028 O=C(N1CCC(CCN2C3CCC2CC(C3)N2C(=O)c3ccccc3C2=O)(CC1)c1ccccc1)c1ccccc1 InChI=1S/C35H37N3O3/c39-32(25-9-3-1-4-10-25)36-20-17-35(18-21-36,26-11-5-2-6-12-26)19-22-37-27-15-16-28(37)24-29(23-27)38-33(40)30-13-7-8-14-31(30)34(38)41/h1-14,27-29H,15-24H2 CRTUDBCTJPUQFO-UHFFFAOYSA-N 50418545 CHEMBL1784391 C-C chemokine receptor type 5 2511.89 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418545&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581068 163367569 CHEMBL1784391 ZINC71281685 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51022029 Cc1nc2cc(ccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1)S(C)(=O)=O InChI=1S/C36H42N4O3S/c1-26-37-33-25-32(44(2,42)43)15-16-34(33)40(26)31-23-29-13-14-30(24-31)39(29)22-19-36(28-11-7-4-8-12-28)17-20-38(21-18-36)35(41)27-9-5-3-6-10-27/h3-12,15-16,25,29-31H,13-14,17-24H2,1-2H3 CDLAAOWTOVRSST-UHFFFAOYSA-N 50418546 CHEMBL1784399 C-C chemokine receptor type 5 1584.89 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418546&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581070 163367570 CHEMBL1784399 ZINC71295646 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51022030 CCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 InChI=1S/C36H42N4O/c1-2-34-37-32-15-9-10-16-33(32)40(34)31-25-29-17-18-30(26-31)39(29)24-21-36(28-13-7-4-8-14-28)19-22-38(23-20-36)35(41)27-11-5-3-6-12-27/h3-16,29-31H,2,17-26H2,1H3 CUMDMOOQNRMOBT-UHFFFAOYSA-N 50418547 CHEMBL1784404 C-C chemokine receptor type 5 8.91 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418547&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54585964 163367571 CHEMBL1784404 ZINC71280569 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51022031 COc1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 InChI=1S/C36H42N4O2/c1-26-37-33-13-6-7-14-34(33)40(26)31-24-29-15-16-30(25-31)39(29)22-19-36(28-10-4-3-5-11-28)17-20-38(21-18-36)35(41)27-9-8-12-32(23-27)42-2/h3-14,23,29-31H,15-22,24-25H2,1-2H3 FVNMBBBDZUACGM-UHFFFAOYSA-N 50418548 CHEMBL1784483 C-C chemokine receptor type 5 17.78 ChEMBL 10.1021/jm200279v 10.7270/Q26111K7 21539377 Kazmierski, WM; Anderson, DL; Aquino, C; Chauder, BA; Duan, M; Ferris, R; Kenakin, T; Koble, CS; Lang, DG; McIntyre, MS; Peckham, J; Watson, C; Wheelan, P; Spaltenstein, A; Wire, MB; Svolto, A; Youngman, M GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50418548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50418548&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 54581076 163367572 CHEMBL1784483 ZINC71296074 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51016489 OC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C18H11Cl3N2O5S/c19-10-7-15(23-29(26,27)11-5-6-13(20)14(21)8-11)17(22-9-10)28-16-4-2-1-3-12(16)18(24)25/h1-9,23H,(H,24,25) GQLXQNMFKWOOSD-UHFFFAOYSA-N 50416285 CHEMBL1171008 C-C chemokine receptor type 5 251.19 ChEMBL 10.1016/j.bmcl.2010.04.142 10.7270/Q2B56KZ9 20627722 Peace, S; Philp, J; Brooks, C; Piercy, V; Moores, K; Smethurst, C; Watson, S; Gaines, S; Zippoli, M; Mookherjee, C; Ife, R GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50416285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50416285&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 16124598 163365309 CHEMBL1171008 ZINC35322879 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 51016496 OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 InChI=1S/C19H12Cl3NO5S/c20-11-5-8-18(28-17-4-2-1-3-13(17)19(24)25)16(9-11)23-29(26,27)12-6-7-14(21)15(22)10-12/h1-10,23H,(H,24,25) OIGUMNDUYFBXEM-UHFFFAOYSA-N 50416304 CHEMBL1171786 C-C chemokine receptor type 5 630.96 ChEMBL 10.1016/j.bmcl.2010.04.142 10.7270/Q2B56KZ9 20627722 Peace, S; Philp, J; Brooks, C; Piercy, V; Moores, K; Smethurst, C; Watson, S; Gaines, S; Zippoli, M; Mookherjee, C; Ife, R GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50416304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50416304&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 49798349 163365328 CHEMBL1171786 ZINC53314275 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260795 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1 MXCQYIXLBGSZRW-LWKLBADKSA-N 50141856 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353331::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 2.1 ChEMBL 10.1016/j.bmcl.2003.12.004 10.7270/Q2PK0FKP 15012997 Shen, DM; Shu, M; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141856&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516172 104031309 CHEMBL353331 ZINC28015158 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50260823 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1 MXCQYIXLBGSZRW-LWKLBADKSA-N 50141856 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353331::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid C-C chemokine receptor type 5 2 ChEMBL 10.1016/j.bmcl.2003.12.005 10.7270/Q2JS9PVD 15012998 Shen, DM; Shu, M; Willoughby, CA; Shah, S; Lynch, CL; Hale, JJ; Mills, SG; Chapman, KT; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Lyons, K; Pivnichny, JV; Kwei, GY; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, MD; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141856&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 516172 104031309 CHEMBL353331 ZINC28015158 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50583348 O=S1CC2(CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c2ccccc12 InChI=1S/C29H32N2O3S2/c32-35-22-29(27-13-7-8-14-28(27)35)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)36(33,34)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+,35?/m0/s1 IUMHTNIGQVOIEZ-ALIQMBEYSA-N 50105531 1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1-oxide]::1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophenium-3,4'-(hexahydropyridine)]-1-olate::CHEMBL330528 C-C chemokine receptor type 5 26 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50105531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50105531&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489594 104001248 CHEMBL330528 ZINC26661734 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50583349 O=S(=O)(N1C[C@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1 InChI=1S/C29H32N2O4S2/c32-36(33)22-29(27-13-7-8-14-28(27)36)15-17-30(18-16-29)19-24-20-31(21-26(24)23-9-3-1-4-10-23)37(34,35)25-11-5-2-6-12-25/h1-14,24,26H,15-22H2/t24-,26+/m0/s1 BVANZKRFYXZAHF-AZGAKELHSA-N 50100016 1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1,1-dioxide]::CHEMBL431111 C-C chemokine receptor type 5 170 ChEMBL 10.1016/s0960-894x(01)00232-3 10.7270/Q2VM4CSZ 11378372 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100016&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 489595 103996832 CHEMBL431111 ZINC29222158 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223719 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C27H36F3N5O/c1-18-16-34(14-15-35(18)21(4)22-6-8-23(9-7-22)27(28,29)30)26(5)10-12-33(13-11-26)25(36)24-19(2)31-17-32-20(24)3/h6-9,17-18,21H,10-16H2,1-5H3/t18-,21-/m0/s1 HMBFXHIQISYDKM-RXVVDRJESA-N 50123435 (4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone::CHEMBL311795 C-C chemokine receptor type 5 3 ChEMBL 10.1016/s0960-894x(02)00918-6 10.7270/Q28K78G6 12565973 McCombie, SW; Tagat, JR; Vice, SF; Lin, SI; Steensma, R; Palani, A; Neustadt, BR; Baroudy, BM; Strizki, JM; Endres, M; Cox, K; Dan, N; Chou, CC Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123435&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483747 104015944 CHEMBL311795 ZINC22453986 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022819 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ncccn1 InChI=1S/C30H41N5O/c1-2-18-35(30-31-16-9-17-32-30)27-14-19-33(20-15-27)21-26-22-34(29(36)25-12-7-4-8-13-25)23-28(26)24-10-5-3-6-11-24/h2-3,5-6,9-11,16-17,25-28H,1,4,7-8,12-15,18-23H2/t26-,28+/m0/s1 PDHAEKCRTLZPTQ-XTEPFMGCSA-N 50123139 ((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone::CHEMBL135432::{(3S,4S)-3-[4-(Allyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 12 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123139&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505875 104015722 CHEMBL135432 ZINC13487345 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022820 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C31H45N5O2/c1-2-18-36(31-32-16-9-17-33-31)27-14-19-34(20-15-27)21-26-22-35(23-28(26)24-10-5-3-6-11-24)29(30(37)38)25-12-7-4-8-13-25/h3,5-6,9-11,16-17,25-29H,2,4,7-8,12-15,18-23H2,1H3,(H,37,38)/t26-,28+,29+/m0/s1 PBQIQXDKWBWMSH-WIIGKZCBSA-N 50123142 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::(R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL137038 C-C chemokine receptor type 5 6.6 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123142&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505880 104015725 CHEMBL137038 ZINC27436544 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022825 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ccccn1 InChI=1S/C32H46N4O2/c1-2-19-36(30-15-9-10-18-33-30)28-16-20-34(21-17-28)22-27-23-35(24-29(27)25-11-5-3-6-12-25)31(32(37)38)26-13-7-4-8-14-26/h3,5-6,9-12,15,18,26-29,31H,2,4,7-8,13-14,16-17,19-24H2,1H3,(H,37,38)/t27-,29+,31+/m0/s1 GRIXLMZYDOACAH-GKFGNYHGSA-N 50123134 (R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL343160 C-C chemokine receptor type 5 3.9 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123134&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505878 104015717 CHEMBL343160 ZINC27434606 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022827 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)N2CCCC2)CC1)c1ccccn1 InChI=1S/C29H41N5O/c1-2-16-34(28-12-6-7-15-30-28)26-13-19-31(20-14-26)21-25-22-33(29(35)32-17-8-9-18-32)23-27(25)24-10-4-3-5-11-24/h3-7,10-12,15,25-27H,2,8-9,13-14,16-23H2,1H3/t25-,27+/m0/s1 VFWZVVDVMDAVKC-AHKZPQOWSA-N 50123146 ((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)(pyrrolidin-1-yl)methanone::CHEMBL137524::{(3S,4S)-3-Phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-pyrrolidin-1-yl-methanone C-C chemokine receptor type 5 9 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123146&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505866 104015729 CHEMBL137524 ZINC13487338 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022828 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCC2)CC1)c1ccccn1 InChI=1S/C29H40N4O/c1-2-17-33(28-13-6-7-16-30-28)26-14-18-31(19-15-26)20-25-21-32(29(34)24-11-8-12-24)22-27(25)23-9-4-3-5-10-23/h3-7,9-10,13,16,24-27H,2,8,11-12,14-15,17-22H2,1H3/t25-,27+/m0/s1 OAXSOMBRDKAEHG-AHKZPQOWSA-N 50123149 CHEMBL138645::Cyclobutyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone::cyclobutyl((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)methanone C-C chemokine receptor type 5 10 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123149&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505867 104015732 CHEMBL138645 ZINC13487339 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022832 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ccncn1 InChI=1S/C30H42FN5O2/c1-2-13-36(29-9-12-32-21-33-29)26-10-14-34(15-11-26)18-24-19-35(28(30(37)38)16-22-5-3-6-22)20-27(24)23-7-4-8-25(31)17-23/h4,7-9,12,17,21-22,24,26-28H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1 QKFMQLOWHWCJRM-HNPKZYAISA-N 50123148 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-4-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::CHEMBL342842 C-C chemokine receptor type 5 1.2 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123148&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357063 104015731 CHEMBL342842 ZINC27433019 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022834 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)c1ccccn1 InChI=1S/C31H37ClN4O/c1-2-18-36(30-14-8-9-17-33-30)26-15-19-34(20-16-26)21-25-22-35(23-28(25)24-10-4-3-5-11-24)31(37)27-12-6-7-13-29(27)32/h3-14,17,25-26,28H,2,15-16,18-23H2,1H3/t25-,28+/m0/s1 IAIPKBDOARAZEA-LBNVMWSVSA-N 50123133 (2-Chloro-phenyl)-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone::CHEMBL138282 C-C chemokine receptor type 5 14 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123133&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505865 104015716 CHEMBL138282 ZINC13487337 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50022836 O=C(C1CCCCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ccccn2)[C@H](C1)c1ccccc1 InChI=1S/C32H44N4O/c37-32(27-11-5-2-6-12-27)35-23-28(30(24-35)26-9-3-1-4-10-26)22-34-19-16-29(17-20-34)36(21-25-14-15-25)31-13-7-8-18-33-31/h1,3-4,7-10,13,18,25,27-30H,2,5-6,11-12,14-17,19-24H2/t28-,30+/m0/s1 DBYLVFWCKXCJGF-MFMCTBQISA-N 50123145 CHEMBL136977::Cyclohexyl-{(3S,4S)-3-[4-(cyclopropylmethyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-methanone C-C chemokine receptor type 5 9 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123145&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505870 104015728 CHEMBL136977 ZINC13487342 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223244 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(F)cn1 InChI=1S/C30H41F2N5O2/c1-2-11-37(30-33-16-25(32)17-34-30)26-9-12-35(13-10-26)18-23-19-36(28(29(38)39)14-21-5-3-6-21)20-27(23)22-7-4-8-24(31)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,38,39)/t23-,27+,28+/m0/s1 LXLHCGLWCKKLPP-MLKSZZLFSA-N 50123138 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[(5-fluoro-pyrimidin-2-yl)-propyl-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL344261 C-C chemokine receptor type 5 33 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123138&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357079 104015721 CHEMBL344261 ZINC27439412 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223251 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(OC)n1 InChI=1S/C31H44FN5O3/c1-3-14-37(31-33-13-10-29(34-31)40-2)26-11-15-35(16-12-26)19-24-20-36(28(30(38)39)17-22-6-4-7-22)21-27(24)23-8-5-9-25(32)18-23/h5,8-10,13,18,22,24,26-28H,3-4,6-7,11-12,14-17,19-21H2,1-2H3,(H,38,39)/t24-,27+,28+/m0/s1 MHNYDKBJIRMLCL-HNPKZYAISA-N 50123130 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[(4-methoxy-pyrimidin-2-yl)-propyl-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL275998 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123130&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357072 104015713 CHEMBL275998 ZINC27433971 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223252 OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ncccn2)[C@H](C1)c1cccc(F)c1 InChI=1S/C31H42FN5O2/c32-26-7-2-6-24(17-26)28-21-36(29(30(38)39)16-22-4-1-5-22)20-25(28)19-35-14-10-27(11-15-35)37(18-23-8-9-23)31-33-12-3-13-34-31/h2-3,6-7,12-13,17,22-23,25,27-29H,1,4-5,8-11,14-16,18-21H2,(H,38,39)/t25-,28+,29+/m0/s1 IJCIMXNTVMTNCZ-RFYMFKDESA-N 50123132 (R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(cyclopropylmethyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL137327 C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123132&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357379 104015715 CHEMBL137327 ZINC53204570 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223254 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(cn1)C(F)(F)F InChI=1S/C31H41F4N5O2/c1-2-11-40(30-36-16-24(17-37-30)31(33,34)35)26-9-12-38(13-10-26)18-23-19-39(28(29(41)42)14-21-5-3-6-21)20-27(23)22-7-4-8-25(32)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,41,42)/t23-,27+,28+/m0/s1 OGKWLTVICQOPPH-MLKSZZLFSA-N 50123129 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[propyl-(5-trifluoromethyl-pyrimidin-2-yl)-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL344641 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123129&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357078 104015712 CHEMBL344641 ZINC53073864 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223256 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1)c1cccnc1 InChI=1S/C32H46N4O2/c1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26/h3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38)/t27-,30+,31+/m0/s1 CJOPYFQSLHCHSZ-LXLYTFERSA-N 50123147 (R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)acetic acid::(R)-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-3-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL137728 C-C chemokine receptor type 5 33 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123147&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505879 104015730 CHEMBL137728 ZINC53204605 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223258 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C30H42FN5O2/c1-2-14-36(30-32-12-5-13-33-30)26-10-15-34(16-11-26)19-24-20-35(28(29(37)38)17-22-6-3-7-22)21-27(24)23-8-4-9-25(31)18-23/h4-5,8-9,12-13,18,22,24,26-28H,2-3,6-7,10-11,14-17,19-21H2,1H3,(H,37,38)/t24-,27+,28+/m0/s1 ATYIPORMNOLRNY-HNPKZYAISA-N 50123136 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(propyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL428104 C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123136&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 9914742 104015719 CHEMBL428104 ZINC53255776 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50223260 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 InChI=1S/C31H42N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h2-3,5-6,9-12,15,18,26-29H,1,4,7-8,13-14,16-17,19-24H2/t27-,29+/m0/s1 RHFUWIXPHXRNRE-LMSSTIIKSA-N 50123131 CHEMBL137419::{(3S,4S)-3-[4-(Allyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123131&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505869 104015714 CHEMBL137419 ZINC13487341 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50592008 C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1cccnc1 InChI=1S/C31H42N4O/c1-2-18-35(29-14-9-17-32-21-29)28-15-19-33(20-16-28)22-27-23-34(31(36)26-12-7-4-8-13-26)24-30(27)25-10-5-3-6-11-25/h2-3,5-6,9-11,14,17,21,26-28,30H,1,4,7-8,12-13,15-16,18-20,22-24H2/t27-,30+/m0/s1 YTDFWQAHEGHFQA-BHBYDHKZSA-N 50123126 ((3S,4S)-3-((4-(allyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone::CHEMBL137206::{(3S,4S)-3-[4-(Allyl-pyridin-3-yl-amino)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-methanone C-C chemokine receptor type 5 12 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123126&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505873 104015709 CHEMBL137206 ZINC13487343 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50592009 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccn1 InChI=1S/C31H44N4O/c1-2-19-35(30-15-9-10-18-32-30)28-16-20-33(21-17-28)22-27-23-34(31(36)26-13-7-4-8-14-26)24-29(27)25-11-5-3-6-12-25/h3,5-6,9-12,15,18,26-29H,2,4,7-8,13-14,16-17,19-24H2,1H3/t27-,29+/m0/s1 FCCZWTBDYBVQPP-LMSSTIIKSA-N 50123143 CHEMBL137072::Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone::cyclohexyl((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)methanone C-C chemokine receptor type 5 12 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123143&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505868 104015726 CHEMBL137072 ZINC13487340 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50592010 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1nccc(n1)C(F)(F)F InChI=1S/C31H41F4N5O2/c1-2-13-40(30-36-12-9-28(37-30)31(33,34)35)25-10-14-38(15-11-25)18-23-19-39(27(29(41)42)16-21-5-3-6-21)20-26(23)22-7-4-8-24(32)17-22/h4,7-9,12,17,21,23,25-27H,2-3,5-6,10-11,13-16,18-20H2,1H3,(H,41,42)/t23-,26+,27+/m0/s1 DGKVXHKWDZKIDE-HUROMRQRSA-N 50123141 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[propyl-(4-trifluoromethyl-pyrimidin-2-yl)-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL343745 C-C chemokine receptor type 5 450 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123141&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44356952 104015724 CHEMBL343745 ZINC27433075 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50592019 FC(F)(F)c1ccc(nc1)N(CC=C)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1 InChI=1S/C32H41F3N4O/c1-2-17-39(30-14-13-27(20-36-30)32(33,34)35)28-15-18-37(19-16-28)21-26-22-38(31(40)25-11-7-4-8-12-25)23-29(26)24-9-5-3-6-10-24/h2-3,5-6,9-10,13-14,20,25-26,28-29H,1,4,7-8,11-12,15-19,21-23H2/t26-,29+/m0/s1 VMXYUCYCVWLMDE-LITSAYRRSA-N 50123128 ((3S,4S)-3-{4-[Allyl-(5-trifluoromethyl-pyridin-2-yl)-amino]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-cyclohexyl-methanone::CHEMBL137272 C-C chemokine receptor type 5 37 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123128&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44356876 104015711 CHEMBL137272 ZINC27433868 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50592046 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1cncnc1 InChI=1S/C30H42FN5O2/c1-2-11-36(27-16-32-21-33-17-27)26-9-12-34(13-10-26)18-24-19-35(29(30(37)38)14-22-5-3-6-22)20-28(24)23-7-4-8-25(31)15-23/h4,7-8,15-17,21-22,24,26,28-29H,2-3,5-6,9-14,18-20H2,1H3,(H,37,38)/t24-,28+,29+/m0/s1 XIUXJGLXQIZUKO-TUMTZTIRSA-N 50123127 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-5-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::CHEMBL335562 C-C chemokine receptor type 5 11 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123127&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44357375 104015710 CHEMBL335562 ZINC27435526 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50592049 CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C31H44FN5O2/c1-2-16-37(31-33-14-7-15-34-31)27-12-17-35(18-13-27)20-25-21-36(22-28(25)24-10-6-11-26(32)19-24)29(30(38)39)23-8-4-3-5-9-23/h6-7,10-11,14-15,19,23,25,27-29H,2-5,8-9,12-13,16-18,20-22H2,1H3,(H,38,39)/t25-,28+,29+/m0/s1 FEKRAPQYYVJDCN-RFYMFKDESA-N 50123135 (R)-Cyclohexyl-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid::CHEMBL138437 C-C chemokine receptor type 5 33 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123135&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 505881 104015718 CHEMBL138437 ZINC27431073 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50592146 CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1 InChI=1S/C29H40FN5O2/c1-2-35(29-31-12-5-13-32-29)25-10-14-33(15-11-25)18-23-19-34(27(28(36)37)16-21-6-3-7-21)20-26(23)22-8-4-9-24(30)17-22/h4-5,8-9,12-13,17,21,23,25-27H,2-3,6-7,10-11,14-16,18-20H2,1H3,(H,36,37)/t23-,26+,27+/m0/s1 LUPZAUDHSLGRIO-HUROMRQRSA-N 50123140 (R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(ethyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid::CHEMBL343366 C-C chemokine receptor type 5 100 ChEMBL 10.1016/s0960-894x(02)00988-5 10.7270/Q2PR7VBW 12565944 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50123140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50123140&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44356944 104015723 CHEMBL343366 ZINC13487347 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50023168 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3 KRBMMTDOLHPSPA-UHFFFAOYSA-N 50124940 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL163078 C-C chemokine receptor type 5 93 ChEMBL 10.1016/s0960-894x(02)01062-4 10.7270/Q26H4GRT 12639563 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Blythin, D; Cox, K; Wagner, NE; Strizki, J; Baroudy, BM; Dan, N Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 503637 104017190 CHEMBL163078 ZINC03641383 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593070 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3 KRBMMTDOLHPSPA-UHFFFAOYSA-N 50124940 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL163078 C-C chemokine receptor type 5 98 ChEMBL 10.1016/s0960-894x(02)01062-4 10.7270/Q26H4GRT 12639563 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Blythin, D; Cox, K; Wagner, NE; Strizki, J; Baroudy, BM; Dan, N Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 503637 104017190 CHEMBL163078 ZINC03641383 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593071 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3 KRBMMTDOLHPSPA-UHFFFAOYSA-N 50124940 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL163078 C-C chemokine receptor type 5 47.6 ChEMBL 10.1016/s0960-894x(02)01062-4 10.7270/Q26H4GRT 12639563 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Blythin, D; Cox, K; Wagner, NE; Strizki, J; Baroudy, BM; Dan, N Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50124940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50124940&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 503637 104017190 CHEMBL163078 ZINC03641383 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50593072 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1 CNPVJJQCETWNEU-CYFREDJKSA-N 50145685 (4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone::CHEMBL82301 C-C chemokine receptor type 5 2.1 ChEMBL 10.1016/s0960-894x(02)01063-6 10.7270/Q2VM4CTD 12639564 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Vice, S; McCombie, S; Cox, K; Strizki, J; Baroudy, BM Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145685&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 3009355 104034374 CHEMBL82301 807 ZINC22010579 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50014722 CN(C[C@@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 InChI=1S/C33H41N3O4S/c1-3-22-36(33(37)40-27-28-13-7-4-8-14-28)31-20-24-35(25-21-31)23-19-30(29-15-9-5-10-16-29)26-34(2)41(38,39)32-17-11-6-12-18-32/h3-18,30-31H,1,19-27H2,2H3/t30-/m1/s1 KBSWOGHNRPKEDN-SSEXGKCCSA-N 50104251 Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid benzyl ester::CHEMBL82168 C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104251&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 486604 104000210 CHEMBL82168 ZINC26503442 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50014723 CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OC(C)(C)C InChI=1S/C29H43N3O4S/c1-6-32(28(33)36-29(2,3)4)26-18-21-31(22-19-26)20-17-25(24-13-9-7-10-14-24)23-30(5)37(34,35)27-15-11-8-12-16-27/h7-16,25-26H,6,17-23H2,1-5H3/t25-/m1/s1 KQUMJWICVOFFEQ-RUZDIDTESA-N 50104246 CHEMBL79930::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid tert-butyl ester C-C chemokine receptor type 5 30 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104246&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 44461561 104000205 CHEMBL79930 ZINC13479395 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 50583718 CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccc(cc1)[N+]([O-])=O InChI=1S/C33H42N4O6S/c1-3-21-36(33(38)43-26-27-14-16-31(17-15-27)37(39)40)30-19-23-35(24-20-30)22-18-29(28-10-6-4-7-11-28)25-34(2)44(41,42)32-12-8-5-9-13-32/h4-17,29-30H,3,18-26H2,1-2H3/t29-/m1/s1 MHXBCXIPENANJY-GDLZYMKVSA-N 50104238 CHEMBL421342::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid 4-nitro-benzyl ester C-C chemokine receptor type 5 1.5 ChEMBL 10.1016/s0960-894x(01)00492-9 10.7270/Q2319V4F 11549450 Finke, PE; Oates, B; Mills, SG; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Carella, A; Carver, G; Holmes, K; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Schleif, WA; Emini, EA Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104238&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 483369 104000197 CHEMBL421342 ZINC26501403 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606783 CC(C)c1nnc(C)n1C1CCN(CCC(NC(=O)C2CCC(F)(F)CC2)c2cccs2)CC1 InChI=1S/C25H37F2N5OS/c1-17(2)23-30-29-18(3)32(23)20-8-13-31(14-9-20)15-10-21(22-5-4-16-34-22)28-24(33)19-6-11-25(26,27)12-7-19/h4-5,16-17,19-21H,6-15H2,1-3H3,(H,28,33) MDMBNEYDNRINED-UHFFFAOYSA-N 313953 US10167299, Example 1 C-C chemokine receptor type 5 36.6 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313953&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219304 383540838 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606784 CC(C)c1nnc(C)n1C1CCN(CCC(NC(C)=O)c2cccs2)CC1 InChI=1S/C20H31N5OS/c1-14(2)20-23-22-15(3)25(20)17-7-10-24(11-8-17)12-9-18(21-16(4)26)19-6-5-13-27-19/h5-6,13-14,17-18H,7-12H2,1-4H3,(H,21,26) LFZAGIJXANFPFN-UHFFFAOYSA-N 313954 Compound 2::US10167299, Example 2 C-C chemokine receptor type 5 32.6 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313954&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219301 383540839 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606785 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1cccs1 InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)22-15-20-6-7-21(16-22)33(20)13-10-23(24-5-4-14-36-24)30-26(35)19-8-11-27(28,29)12-9-19/h4-5,14,17,19-23H,6-13,15-16H2,1-3H3,(H,30,35) BWGRDBSNKQABCB-UHFFFAOYSA-N 313955 Compound 3::US10167299, Example 3 C-C chemokine receptor type 5 1.95 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313955&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668160 383540840 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606786 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CCC(NC(C)=O)c1cccs1 InChI=1S/C22H33N5OS/c1-14(2)22-25-24-15(3)27(22)19-12-17-7-8-18(13-19)26(17)10-9-20(23-16(4)28)21-6-5-11-29-21/h5-6,11,14,17-20H,7-10,12-13H2,1-4H3,(H,23,28) YNBGIJVWMDWTHC-UHFFFAOYSA-N 313956 US10167299, Example 4 C-C chemokine receptor type 5 15.0 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313956&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668226 383540841 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606787 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2cccnc2)CC1 InChI=1S/C26H38F2N6O/c1-18(2)24-32-31-19(3)34(24)22-8-14-33(15-9-22)16-10-23(21-5-4-13-29-17-21)30-25(35)20-6-11-26(27,28)12-7-20/h4-5,13,17-18,20,22-23H,6-12,14-16H2,1-3H3,(H,30,35)/t23-/m0/s1 WDBQJSCPCGTAFG-QHCPKHFHSA-N 313957 Compound 5::US10167299, Example 5 C-C chemokine receptor type 5 29.7 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313957&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668216 383540842 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606788 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C(C)CCC(C)(F)F)c1cccnc1 InChI=1S/C28H42F2N6O/c1-18(2)26-34-33-20(4)36(26)24-15-22-8-9-23(16-24)35(22)14-11-25(21-7-6-13-31-17-21)32-27(37)19(3)10-12-28(5,29)30/h6-7,13,17-19,22-25H,8-12,14-16H2,1-5H3,(H,32,37)/t19?,22?,23?,24?,25-/m0/s1 BBRWXNIAHLQWHC-FLCOZVFZSA-N 313958 US10167299, Example 6 C-C chemokine receptor type 5 6.90 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313958&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585467 383540843 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606789 CCCCC(C)C(=O)N[C@@H](CCN1CCC(CC1)n1c(C)nnc1C(C)C)c1cccnc1 InChI=1S/C26H42N6O/c1-6-7-9-20(4)26(33)28-24(22-10-8-14-27-18-22)13-17-31-15-11-23(12-16-31)32-21(5)29-30-25(32)19(2)3/h8,10,14,18-20,23-24H,6-7,9,11-13,15-17H2,1-5H3,(H,28,33)/t20?,24-/m0/s1 CDGNQAXHXYYWOL-JWIMYKKASA-N 313959 Compound 7::US10167299, Example 7 C-C chemokine receptor type 5 35.2 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313959&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585468 383540844 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606790 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccnc1 InChI=1S/C28H42N6O/c1-19(2)27-32-31-20(3)34(27)25-16-23-11-12-24(17-25)33(23)15-13-26(22-10-7-14-29-18-22)30-28(35)21-8-5-4-6-9-21/h7,10,14,18-19,21,23-26H,4-6,8-9,11-13,15-17H2,1-3H3,(H,30,35)/t23?,24?,25?,26-/m0/s1 BJPVYYNGTFHKMV-ILVMPNSOSA-N 313960 Compound 8::US10167299, Example 8 C-C chemokine receptor type 5 21.9 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313960&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668175 383540845 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606791 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCCC2)c2cccnc2)CC1 InChI=1S/C25H38N6O/c1-18(2)24-29-28-19(3)31(24)22-10-14-30(15-11-22)16-12-23(21-9-6-13-26-17-21)27-25(32)20-7-4-5-8-20/h6,9,13,17-18,20,22-23H,4-5,7-8,10-12,14-16H2,1-3H3,(H,27,32)/t23-/m0/s1 NUGPIZCTELGDOS-QHCPKHFHSA-N 313961 Compound 9::US10167299, Example 9 C-C chemokine receptor type 5 79.3 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313961&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668201 383540846 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606792 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccnc1 InChI=1S/C27H40N6O/c1-18(2)26-31-30-19(3)33(26)24-15-22-10-11-23(16-24)32(22)14-12-25(21-9-6-13-28-17-21)29-27(34)20-7-4-5-8-20/h6,9,13,17-18,20,22-25H,4-5,7-8,10-12,14-16H2,1-3H3,(H,29,34)/t22?,23?,24?,25-/m0/s1 DFPXSOQHIAMDMR-DGGBHQDZSA-N 313962 US10167299, Example 10 C-C chemokine receptor type 5 36.6 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313962&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668281 383540847 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606793 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2cccs2)CC1 InChI=1S/C25H37F2N5OS/c1-17(2)23-30-29-18(3)32(23)20-8-13-31(14-9-20)15-10-21(22-5-4-16-34-22)28-24(33)19-6-11-25(26,27)12-7-19/h4-5,16-17,19-21H,6-15H2,1-3H3,(H,28,33)/t21-/m0/s1 MDMBNEYDNRINED-NRFANRHFSA-N 313963 US10167299, Example 13 C-C chemokine receptor type 5 3.40 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313963&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668258 383540848 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606794 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)22-15-20-6-7-21(16-22)33(20)13-10-23(24-5-4-14-36-24)30-26(35)19-8-11-27(28,29)12-9-19/h4-5,14,17,19-23H,6-13,15-16H2,1-3H3,(H,30,35)/t20?,21?,22?,23-/m0/s1 BWGRDBSNKQABCB-JVLTXYAPSA-N 313964 US10167299, Example 14 C-C chemokine receptor type 5 2.33 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313964&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668147 383540849 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606795 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccs2)CC1 InChI=1S/C25H39N5OS/c1-18(2)24-28-27-19(3)30(24)21-11-14-29(15-12-21)16-13-22(23-10-7-17-32-23)26-25(31)20-8-5-4-6-9-20/h7,10,17-18,20-22H,4-6,8-9,11-16H2,1-3H3,(H,26,31)/t22-/m0/s1 RKKMUZKIODNUNJ-QFIPXVFZSA-N 313965 US10167299, Example 15 C-C chemokine receptor type 5 9.22 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313965&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668256 383540850 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606796 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccs1 InChI=1S/C27H41N5OS/c1-18(2)26-30-29-19(3)32(26)23-16-21-11-12-22(17-23)31(21)14-13-24(25-10-7-15-34-25)28-27(33)20-8-5-4-6-9-20/h7,10,15,18,20-24H,4-6,8-9,11-14,16-17H2,1-3H3,(H,28,33)/t21?,22?,23?,24-/m0/s1 SREBZJHOYFAEAE-GVWQBGCGSA-N 313966 US10167299, Example 16 C-C chemokine receptor type 5 2.23 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313966&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585471 383540851 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606797 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCCC2)c2cccs2)CC1 InChI=1S/C24H37N5OS/c1-17(2)23-27-26-18(3)29(23)20-10-13-28(14-11-20)15-12-21(22-9-6-16-31-22)25-24(30)19-7-4-5-8-19/h6,9,16-17,19-21H,4-5,7-8,10-15H2,1-3H3,(H,25,30)/t21-/m0/s1 IEXXOJWDDUOEFX-NRFANRHFSA-N 313967 US10167299, Example 17 C-C chemokine receptor type 5 2.55 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313967&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668227 383540852 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606798 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccs1 InChI=1S/C26H39N5OS/c1-17(2)25-29-28-18(3)31(25)22-15-20-10-11-21(16-22)30(20)13-12-23(24-9-6-14-33-24)27-26(32)19-7-4-5-8-19/h6,9,14,17,19-23H,4-5,7-8,10-13,15-16H2,1-3H3,(H,27,32)/t20?,21?,22?,23-/m0/s1 FKHCEPANSGYZPM-JVLTXYAPSA-N 313968 US10167299, Example 18 C-C chemokine receptor type 5 3.73 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313968&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668192 383540853 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606799 CCC1CCC(CC1)C(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)c1cccs1 InChI=1S/C29H45N5OS/c1-5-21-8-10-22(11-9-21)29(35)30-26(27-7-6-16-36-27)14-15-33-23-12-13-24(33)18-25(17-23)34-20(4)31-32-28(34)19(2)3/h6-7,16,19,21-26H,5,8-15,17-18H2,1-4H3,(H,30,35)/t21?,22?,23?,24?,25?,26-/m0/s1 JCJVVKYNBMLFTN-WHJQLTNHSA-N 313969 US10167299, Example 19 C-C chemokine receptor type 5 21.5 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313969&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585469 383540854 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606800 CCC1CCC(CC1)C(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)c1ccsc1 InChI=1S/C29H45N5OS/c1-5-21-6-8-22(9-7-21)29(35)30-27(23-13-15-36-18-23)12-14-33-24-10-11-25(33)17-26(16-24)34-20(4)31-32-28(34)19(2)3/h13,15,18-19,21-22,24-27H,5-12,14,16-17H2,1-4H3,(H,30,35)/t21?,22?,24?,25?,26?,27-/m0/s1 BWGKFIQYNOWCMY-KQMCEJHESA-N 313970 US10167299, Example 20 C-C chemokine receptor type 5 5.14 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313970&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585472 383540855 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606801 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccsc2)CC1 InChI=1S/C25H37F2N5OS/c1-17(2)23-30-29-18(3)32(23)21-6-12-31(13-7-21)14-8-22(20-9-15-34-16-20)28-24(33)19-4-10-25(26,27)11-5-19/h9,15-17,19,21-22H,4-8,10-14H2,1-3H3,(H,28,33)/t22-/m0/s1 FDYAJSPGBBESML-QFIPXVFZSA-N 313971 US10167299, Example 21::US10167299, Example 23 C-C chemokine receptor type 5 11.9 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668253 383540856 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606802 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)23-14-21-4-5-22(15-23)33(21)12-8-24(20-9-13-36-16-20)30-26(35)19-6-10-27(28,29)11-7-19/h9,13,16-17,19,21-24H,4-8,10-12,14-15H2,1-3H3,(H,30,35)/t21?,22?,23?,24-/m0/s1 KESMRFWRGXZDEF-GVWQBGCGSA-N 313972 US10167299, Example 22 C-C chemokine receptor type 5 1.05 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313972&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668204 383540857 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606803 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccsc2)CC1 InChI=1S/C25H37F2N5OS/c1-17(2)23-30-29-18(3)32(23)21-6-12-31(13-7-21)14-8-22(20-9-15-34-16-20)28-24(33)19-4-10-25(26,27)11-5-19/h9,15-17,19,21-22H,4-8,10-14H2,1-3H3,(H,28,33)/t22-/m0/s1 FDYAJSPGBBESML-QFIPXVFZSA-N 313971 US10167299, Example 21::US10167299, Example 23 C-C chemokine receptor type 5 27.3 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313971&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668253 383540856 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606804 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccsc1 InChI=1S/C27H41N5OS/c1-18(2)26-30-29-19(3)32(26)24-15-22-9-10-23(16-24)31(22)13-11-25(21-12-14-34-17-21)28-27(33)20-7-5-4-6-8-20/h12,14,17-18,20,22-25H,4-11,13,15-16H2,1-3H3,(H,28,33)/t22?,23?,24?,25-/m0/s1 ZBIMCVPWBBQRNL-DGGBHQDZSA-N 313974 US10167299, Example 24 C-C chemokine receptor type 5 44.6 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313974&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585473 383540858 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606805 CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCCC2)c2ccsc2)CC1 InChI=1S/C24H37N5OS/c1-17(2)23-27-26-18(3)29(23)21-8-12-28(13-9-21)14-10-22(20-11-15-31-16-20)25-24(30)19-6-4-5-7-19/h11,15-17,19,21-22H,4-10,12-14H2,1-3H3,(H,25,30)/t22-/m0/s1 KPSYDHGXBGLEHM-QFIPXVFZSA-N 313975 US10167299, Example 25 C-C chemokine receptor type 5 37.9 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313975&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219362 383540859 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606806 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccsc1 InChI=1S/C26H39N5OS/c1-17(2)25-29-28-18(3)31(25)23-14-21-8-9-22(15-23)30(21)12-10-24(20-11-13-33-16-20)27-26(32)19-6-4-5-7-19/h11,13,16-17,19,21-24H,4-10,12,14-15H2,1-3H3,(H,27,32)/t21?,22?,23?,24-/m0/s1 DJRRJNSOIPFZMS-GVWQBGCGSA-N 313976 US10167299, Example 26 C-C chemokine receptor type 5 5.06 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313976&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668268 383540860 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606807 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1csc2ccccc12 InChI=1S/C31H41F2N5OS/c1-19(2)29-36-35-20(3)38(29)24-16-22-8-9-23(17-24)37(22)15-12-27(26-18-40-28-7-5-4-6-25(26)28)34-30(39)21-10-13-31(32,33)14-11-21/h4-7,18-19,21-24,27H,8-17H2,1-3H3,(H,34,39)/t22?,23?,24?,27-/m0/s1 BUMYPVOXXHEQEG-LFTRXOAISA-N 313977 US10167299, Example 27 C-C chemokine receptor type 5 11.4 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313977&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219265 383540861 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606808 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1csc2ccccc12 InChI=1S/C26H35N5OS/c1-16(2)26-29-28-17(3)31(26)21-13-19-9-10-20(14-21)30(19)12-11-24(27-18(4)32)23-15-33-25-8-6-5-7-22(23)25/h5-8,15-16,19-21,24H,9-14H2,1-4H3,(H,27,32)/t19?,20?,21?,24-/m0/s1 HESQWPCRBPTGIY-HFHBMHTISA-N 313978 US10167299, Example 28 C-C chemokine receptor type 5 68.0 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313978&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219300 383540862 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606809 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(C)s1 InChI=1S/C28H41F2N5OS/c1-17(2)26-33-32-19(4)35(26)23-15-21-6-7-22(16-23)34(21)14-11-24(25-8-5-18(3)37-25)31-27(36)20-9-12-28(29,30)13-10-20/h5,8,17,20-24H,6-7,9-16H2,1-4H3,(H,31,36)/t21?,22?,23?,24-/m0/s1 KATSHVWAQGEVMD-GVWQBGCGSA-N 313979 US10167299, Example 29::US10167299, Example 73 C-C chemokine receptor type 5 7.28 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668272 383540863 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606810 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(C)s1 InChI=1S/C28H43N5OS/c1-18(2)27-31-30-20(4)33(27)24-16-22-11-12-23(17-24)32(22)15-14-25(26-13-10-19(3)35-26)29-28(34)21-8-6-5-7-9-21/h10,13,18,21-25H,5-9,11-12,14-17H2,1-4H3,(H,29,34)/t22?,23?,24?,25-/m0/s1 BEXNIPKXGYPZGG-DGGBHQDZSA-N 313980 US10167299, Example 30 C-C chemokine receptor type 5 24.0 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313980&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219355 383540864 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606811 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(C)s1 InChI=1S/C27H41N5OS/c1-17(2)26-30-29-19(4)32(26)23-15-21-10-11-22(16-23)31(21)14-13-24(25-12-9-18(3)34-25)28-27(33)20-7-5-6-8-20/h9,12,17,20-24H,5-8,10-11,13-16H2,1-4H3,(H,28,33)/t21?,22?,23?,24-/m0/s1 KTCAJGTZNURMKJ-GVWQBGCGSA-N 313981 US10167299, Example 31 C-C chemokine receptor type 5 9.76 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313981&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219272 383540865 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606812 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)c1ccccc1)c1ccc(C)s1 InChI=1S/C28H37N5OS/c1-18(2)27-31-30-20(4)33(27)24-16-22-11-12-23(17-24)32(22)15-14-25(26-13-10-19(3)35-26)29-28(34)21-8-6-5-7-9-21/h5-10,13,18,22-25H,11-12,14-17H2,1-4H3,(H,29,34)/t22?,23?,24?,25-/m0/s1 IBSWSNWEFSTWSO-DGGBHQDZSA-N 313982 US10167299, Example 32 C-C chemokine receptor type 5 8.35 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313982&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219266 383540866 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606813 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(C)s1 InChI=1S/C29H38FN5OS/c1-18(2)29-33-32-20(4)35(29)25-16-23-10-11-24(17-25)34(23)14-13-26(27-12-5-19(3)37-27)31-28(36)15-21-6-8-22(30)9-7-21/h5-9,12,18,23-26H,10-11,13-17H2,1-4H3,(H,31,36)/t23?,24?,25?,26-/m0/s1 NGKRMJUXNUUQGJ-ILVMPNSOSA-N 313983 US10167299, Example 33 C-C chemokine receptor type 5 25.0 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313983&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219284 383540867 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606814 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)nc1 InChI=1S/C28H39F3N6O/c1-17(2)26-35-34-18(3)37(26)23-14-21-5-6-22(15-23)36(21)13-10-24(20-4-7-25(29)32-16-20)33-27(38)19-8-11-28(30,31)12-9-19/h4,7,16-17,19,21-24H,5-6,8-15H2,1-3H3,(H,33,38)/t21?,22?,23?,24-/m0/s1 ZMAZFLYNXDWFFF-GVWQBGCGSA-N 313984 US10167299, Example 34 C-C chemokine receptor type 5 143 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313984&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219356 383540868 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606815 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(F)nc1 InChI=1S/C28H41FN6O/c1-18(2)27-33-32-19(3)35(27)24-15-22-10-11-23(16-24)34(22)14-13-25(21-9-12-26(29)30-17-21)31-28(36)20-7-5-4-6-8-20/h9,12,17-18,20,22-25H,4-8,10-11,13-16H2,1-3H3,(H,31,36)/t22?,23?,24?,25-/m0/s1 GDMRHZLXSHFOMT-DGGBHQDZSA-N 313985 US10167299, Example 35 C-C chemokine receptor type 5 270 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313985&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219363 383540869 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606816 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(F)nc1 InChI=1S/C27H39FN6O/c1-17(2)26-32-31-18(3)34(26)23-14-21-9-10-22(15-23)33(21)13-12-24(20-8-11-25(28)29-16-20)30-27(35)19-6-4-5-7-19/h8,11,16-17,19,21-24H,4-7,9-10,12-15H2,1-3H3,(H,30,35)/t21?,22?,23?,24-/m0/s1 YYASPWIDUIBICN-GVWQBGCGSA-N 313986 US10167299, Example 36 C-C chemokine receptor type 5 31.8 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313986&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219267 383540870 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606817 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)s1 InChI=1S/C27H38F3N5OS/c1-16(2)25-33-32-17(3)35(25)21-14-19-4-5-20(15-21)34(19)13-10-22(23-6-7-24(28)37-23)31-26(36)18-8-11-27(29,30)12-9-18/h6-7,16,18-22H,4-5,8-15H2,1-3H3,(H,31,36)/t19?,20?,21?,22-/m0/s1 PBJJUOCBQIGGHK-YTZNMQJJSA-N 313987 US10167299, Example 37 C-C chemokine receptor type 5 9.33 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313987&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668156 383540871 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606818 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(F)s1 InChI=1S/C27H40FN5OS/c1-17(2)26-31-30-18(3)33(26)22-15-20-9-10-21(16-22)32(20)14-13-23(24-11-12-25(28)35-24)29-27(34)19-7-5-4-6-8-19/h11-12,17,19-23H,4-10,13-16H2,1-3H3,(H,29,34)/t20?,21?,22?,23-/m0/s1 JOKPYJKZNAPVSV-JVLTXYAPSA-N 313988 US10167299, Example 38 C-C chemokine receptor type 5 9.33 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313988&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219268 383540872 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606819 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(F)s1 InChI=1S/C26H38FN5OS/c1-16(2)25-30-29-17(3)32(25)21-14-19-8-9-20(15-21)31(19)13-12-22(23-10-11-24(27)34-23)28-26(33)18-6-4-5-7-18/h10-11,16,18-22H,4-9,12-15H2,1-3H3,(H,28,33)/t19?,20?,21?,22-/m0/s1 RGEXMRUJHBECAE-YTZNMQJJSA-N 313989 US10167299, Example 39 C-C chemokine receptor type 5 1.41 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313989&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219269 383540873 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606820 CC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 InChI=1S/C30H41F2N5O2S/c1-19-33-27-17-35(20(2)38)12-8-28(27)37(19)25-15-23-3-4-24(16-25)36(23)13-7-26(22-9-14-40-18-22)34-29(39)21-5-10-30(31,32)11-6-21/h9,14,18,21,23-26H,3-8,10-13,15-17H2,1-2H3,(H,34,39)/t23?,24?,25?,26-/m0/s1 CHNHYOHQPDHUOP-ILVMPNSOSA-N 313990 US10167299, Example 42 C-C chemokine receptor type 5 15.9 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313990&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668184 383540874 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606821 CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 InChI=1S/C32H45F2N5O2S/c1-20(2)31(41)37-13-9-29-28(18-37)35-21(3)39(29)26-16-24-4-5-25(17-26)38(24)14-8-27(23-10-15-42-19-23)36-30(40)22-6-11-32(33,34)12-7-22/h10,15,19-20,22,24-27H,4-9,11-14,16-18H2,1-3H3,(H,36,40)/t24?,25?,26?,27-/m0/s1 XADGEXPZZCPUIH-GVHAAITQSA-N 313991 US10167299, Example 43 C-C chemokine receptor type 5 8.34 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313991&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668181 383540875 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606822 CCc1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1 InChI=1S/C29H43F2N5OS/c1-5-24-8-9-26(38-24)25(32-28(37)20-10-13-29(30,31)14-11-20)12-15-35-21-6-7-22(35)17-23(16-21)36-19(4)33-34-27(36)18(2)3/h8-9,18,20-23,25H,5-7,10-17H2,1-4H3,(H,32,37)/t21?,22?,23?,25-/m0/s1 OTYLGASXAMVTRW-RIFKOICESA-N 313992 US10167299, Example 64 C-C chemokine receptor type 5 4.63 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313992&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219274 383540876 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606823 CCc1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCCC1 InChI=1S/C29H45N5OS/c1-5-25-13-14-27(36-25)26(30-29(35)21-9-7-6-8-10-21)15-16-33-22-11-12-23(33)18-24(17-22)34-20(4)31-32-28(34)19(2)3/h13-14,19,21-24,26H,5-12,15-18H2,1-4H3,(H,30,35)/t22?,23?,24?,26-/m0/s1 UDRZSXGBJMNBJU-WCINTBDISA-N 313993 US10167299, Example 65 C-C chemokine receptor type 5 1.62 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313993&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219320 383540877 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606824 CCc1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCC1 InChI=1S/C28H43N5OS/c1-5-24-12-13-26(35-24)25(29-28(34)20-8-6-7-9-20)14-15-32-21-10-11-22(32)17-23(16-21)33-19(4)30-31-27(33)18(2)3/h12-13,18,20-23,25H,5-11,14-17H2,1-4H3,(H,29,34)/t21?,22?,23?,25-/m0/s1 UGYLQTRNQVSVKS-RIFKOICESA-N 313994 US10167299, Example 66 C-C chemokine receptor type 5 2.02 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313994&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219317 383540878 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606825 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(s1)C#N InChI=1S/C28H38F2N6OS/c1-17(2)26-34-33-18(3)36(26)22-14-20-4-5-21(15-22)35(20)13-10-24(25-7-6-23(16-31)38-25)32-27(37)19-8-11-28(29,30)12-9-19/h6-7,17,19-22,24H,4-5,8-15H2,1-3H3,(H,32,37)/t20?,21?,22?,24-/m0/s1 YIRKPANMABMDIQ-QLEIAVNASA-N 313995 US10167299, Example 70 C-C chemokine receptor type 5 9.45 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313995&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219311 383540879 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606826 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(C)s1 InChI=1S/C28H41F2N5OS/c1-17(2)26-33-32-19(4)35(26)23-15-21-6-7-22(16-23)34(21)14-11-24(25-8-5-18(3)37-25)31-27(36)20-9-12-28(29,30)13-10-20/h5,8,17,20-24H,6-7,9-16H2,1-4H3,(H,31,36)/t21?,22?,23?,24-/m0/s1 KATSHVWAQGEVMD-GVWQBGCGSA-N 313979 US10167299, Example 29::US10167299, Example 73 C-C chemokine receptor type 5 8.23 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313979&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668272 383540863 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606827 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cc(C)cs1 InChI=1S/C28H41F2N5OS/c1-17(2)26-33-32-19(4)35(26)23-14-21-5-6-22(15-23)34(21)12-9-24(25-13-18(3)16-37-25)31-27(36)20-7-10-28(29,30)11-8-20/h13,16-17,20-24H,5-12,14-15H2,1-4H3,(H,31,36)/t21?,22?,23?,24-/m0/s1 NGFBVZDHBYHLOL-GVWQBGCGSA-N 313997 US10167299, Example 88 C-C chemokine receptor type 5 9.26 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313997&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118218951 383540880 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606828 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(Cl)s1 InChI=1S/C27H38ClF2N5OS/c1-16(2)25-33-32-17(3)35(25)21-14-19-4-5-20(15-21)34(19)13-10-22(23-6-7-24(28)37-23)31-26(36)18-8-11-27(29,30)12-9-18/h6-7,16,18-22H,4-5,8-15H2,1-3H3,(H,31,36)/t19?,20?,21?,22-/m0/s1 XHPVHSOBTHKQIZ-YTZNMQJJSA-N 313998 US10167299, Example 112 C-C chemokine receptor type 5 10.4 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313998&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219367 383540881 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606829 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(Cl)s1 InChI=1S/C27H40ClN5OS/c1-17(2)26-31-30-18(3)33(26)22-15-20-9-10-21(16-22)32(20)14-13-23(24-11-12-25(28)35-24)29-27(34)19-7-5-4-6-8-19/h11-12,17,19-23H,4-10,13-16H2,1-3H3,(H,29,34)/t20?,21?,22?,23-/m0/s1 NJRIAGPDZIFBDA-JVLTXYAPSA-N 313999 US10167299, Example 113 C-C chemokine receptor type 5 8.14 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=313999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=313999&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219321 383540882 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606830 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(Cl)s1 InChI=1S/C26H38ClN5OS/c1-16(2)25-30-29-17(3)32(25)21-14-19-8-9-20(15-21)31(19)13-12-22(23-10-11-24(27)34-23)28-26(33)18-6-4-5-7-18/h10-11,16,18-22H,4-9,12-15H2,1-3H3,(H,28,33)/t19?,20?,21?,22-/m0/s1 JEEZUSWHDBNTSN-YTZNMQJJSA-N 314000 US10167299, Example 114 C-C chemokine receptor type 5 9.27 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314000&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219310 383540883 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606831 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1nccs1 InChI=1S/C26H38F2N6OS/c1-16(2)23-32-31-17(3)34(23)21-14-19-4-5-20(15-21)33(19)12-8-22(25-29-11-13-36-25)30-24(35)18-6-9-26(27,28)10-7-18/h11,13,16,18-22H,4-10,12,14-15H2,1-3H3,(H,30,35)/t19?,20?,21?,22-/m0/s1 PGSQJRZHWGRNNG-YTZNMQJJSA-N 314001 US10167299, Example 115 C-C chemokine receptor type 5 10.3 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314001&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219322 383540884 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606832 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1nccs1 InChI=1S/C26H40N6OS/c1-17(2)24-30-29-18(3)32(24)22-15-20-9-10-21(16-22)31(20)13-11-23(26-27-12-14-34-26)28-25(33)19-7-5-4-6-8-19/h12,14,17,19-23H,4-11,13,15-16H2,1-3H3,(H,28,33)/t20?,21?,22?,23-/m0/s1 OLGVUEYJOBQSFT-JVLTXYAPSA-N 314002 US10167299, Example 116 C-C chemokine receptor type 5 15.6 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314002&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219282 383540885 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606833 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1nccs1 InChI=1S/C25H38N6OS/c1-16(2)23-29-28-17(3)31(23)21-14-19-8-9-20(15-21)30(19)12-10-22(25-26-11-13-33-25)27-24(32)18-6-4-5-7-18/h11,13,16,18-22H,4-10,12,14-15H2,1-3H3,(H,27,32)/t19?,20?,21?,22-/m0/s1 VPVCVOFKQKKLEA-YTZNMQJJSA-N 314003 US10167299, Example 117 C-C chemokine receptor type 5 16.1 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314003&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219316 383540886 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606834 CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(C)=O)c1nccs1 InChI=1S/C24H34N6O2S/c1-15-26-22-14-28(17(3)32)9-7-23(22)30(15)20-12-18-4-5-19(13-20)29(18)10-6-21(27-16(2)31)24-25-8-11-33-24/h8,11,18-21H,4-7,9-10,12-14H2,1-3H3,(H,27,31)/t18?,19?,20?,21-/m0/s1 HHVRMYXVPSOWKI-FNNAPWSISA-N 314004 US10167299, Example 118 C-C chemokine receptor type 5 16.9 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314004&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668269 383540887 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606835 COC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1nccs1 InChI=1S/C24H34N6O3S/c1-15-26-21-14-28(24(32)33-3)9-7-22(21)30(15)19-12-17-4-5-18(13-19)29(17)10-6-20(27-16(2)31)23-25-8-11-34-23/h8,11,17-20H,4-7,9-10,12-14H2,1-3H3,(H,27,31)/t17?,18?,19?,20-/m0/s1 HHSUJJWQZGBMMV-WSXZXBBNSA-N 314005 US10167299, Example 119 C-C chemokine receptor type 5 4.77 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314005&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126567365 383540888 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606836 CCC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1nccs1 InChI=1S/C25H36N6O2S/c1-4-24(33)29-10-8-23-22(15-29)27-16(2)31(23)20-13-18-5-6-19(14-20)30(18)11-7-21(28-17(3)32)25-26-9-12-34-25/h9,12,18-21H,4-8,10-11,13-15H2,1-3H3,(H,28,32)/t18?,19?,20?,21-/m0/s1 CFCAZRJRBIHHPK-FNNAPWSISA-N 314006 US10167299, Example 120 C-C chemokine receptor type 5 27.7 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314006&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668171 383540889 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606837 CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1nccs1 InChI=1S/C26H38N6O2S/c1-16(2)26(34)30-10-8-24-23(15-30)28-17(3)32(24)21-13-19-5-6-20(14-21)31(19)11-7-22(29-18(4)33)25-27-9-12-35-25/h9,12,16,19-22H,5-8,10-11,13-15H2,1-4H3,(H,29,33)/t19?,20?,21?,22-/m0/s1 ZGNSTXLNYBRXDD-YTZNMQJJSA-N 314007 US10167299, Example 121 C-C chemokine receptor type 5 32.3 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314007&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668211 383540890 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606838 CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(=O)C1CC1)c1nccs1 InChI=1S/C26H36N6O2S/c1-16-28-23-15-30(26(34)18-3-4-18)10-8-24(23)32(16)21-13-19-5-6-20(14-21)31(19)11-7-22(29-17(2)33)25-27-9-12-35-25/h9,12,18-22H,3-8,10-11,13-15H2,1-2H3,(H,29,33)/t19?,20?,21?,22-/m0/s1 TVAMSGWNMMWVOG-YTZNMQJJSA-N 314008 US10167299, Example 122 C-C chemokine receptor type 5 24.5 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314008&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126595711 383540891 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606839 CCCC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1nccs1 InChI=1S/C26H38N6O2S/c1-4-5-25(34)30-11-9-24-23(16-30)28-17(2)32(24)21-14-19-6-7-20(15-21)31(19)12-8-22(29-18(3)33)26-27-10-13-35-26/h10,13,19-22H,4-9,11-12,14-16H2,1-3H3,(H,29,33)/t19?,20?,21?,22-/m0/s1 IYIUWNPQFMASRP-YTZNMQJJSA-N 314009 US10167299, Example 123 C-C chemokine receptor type 5 12.1 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314009&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668242 383540892 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606840 CCC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(C)=O)c1nccs1 InChI=1S/C25H36N6O2S/c1-4-24(33)28-21(25-26-9-12-34-25)7-11-30-18-5-6-19(30)14-20(13-18)31-16(2)27-22-15-29(17(3)32)10-8-23(22)31/h9,12,18-21H,4-8,10-11,13-15H2,1-3H3,(H,28,33)/t18?,19?,20?,21-/m0/s1 UCQUDAXQVJYURF-FNNAPWSISA-N 314010 US10167299, Example 124 C-C chemokine receptor type 5 11.2 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314010&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668285 383540893 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606841 CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(C)=O)c1ccc(Cl)s1 InChI=1S/C25H34ClN5O2S/c1-15-27-22-14-29(17(3)33)10-9-23(22)31(15)20-12-18-4-5-19(13-20)30(18)11-8-21(28-16(2)32)24-6-7-25(26)34-24/h6-7,18-21H,4-5,8-14H2,1-3H3,(H,28,32)/t18?,19?,20?,21-/m0/s1 CDDWGTPDUVWHDS-FNNAPWSISA-N 314011 US10167299, Example 125 C-C chemokine receptor type 5 12.2 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314011&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668233 383540894 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606842 COC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(Cl)s1 InChI=1S/C25H34ClN5O3S/c1-15-27-21-14-29(25(33)34-3)10-9-22(21)31(15)19-12-17-4-5-18(13-19)30(17)11-8-20(28-16(2)32)23-6-7-24(26)35-23/h6-7,17-20H,4-5,8-14H2,1-3H3,(H,28,32)/t17?,18?,19?,20-/m0/s1 UONWDTGWCGQBBT-WSXZXBBNSA-N 314012 US10167299, Example 126 C-C chemokine receptor type 5 22.0 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314012&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126567256 383540895 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606843 CCC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(Cl)s1 InChI=1S/C26H36ClN5O2S/c1-4-26(34)30-11-10-23-22(15-30)28-16(2)32(23)20-13-18-5-6-19(14-20)31(18)12-9-21(29-17(3)33)24-7-8-25(27)35-24/h7-8,18-21H,4-6,9-15H2,1-3H3,(H,29,33)/t18?,19?,20?,21-/m0/s1 MGQXINPODSRBQW-FNNAPWSISA-N 314013 US10167299, Example 127 C-C chemokine receptor type 5 22.9 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314013&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126567301 383540896 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606844 CCCC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(Cl)s1 InChI=1S/C27H38ClN5O2S/c1-4-5-27(35)31-12-11-24-23(16-31)29-17(2)33(24)21-14-19-6-7-20(15-21)32(19)13-10-22(30-18(3)34)25-8-9-26(28)36-25/h8-9,19-22H,4-7,10-16H2,1-3H3,(H,30,34)/t19?,20?,21?,22-/m0/s1 GCHGGFMXEMBPQV-YTZNMQJJSA-N 314014 US10167299, Example 128 C-C chemokine receptor type 5 17.5 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314014&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668237 383540897 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606845 CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(Cl)s1 InChI=1S/C27H38ClN5O2S/c1-16(2)27(35)31-11-10-24-23(15-31)29-17(3)33(24)21-13-19-5-6-20(14-21)32(19)12-9-22(30-18(4)34)25-7-8-26(28)36-25/h7-8,16,19-22H,5-6,9-15H2,1-4H3,(H,30,34)/t19?,20?,21?,22-/m0/s1 XHYWZUVHVQYZRN-YTZNMQJJSA-N 314015 US10167299, Example 129 C-C chemokine receptor type 5 14.2 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314015&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668194 383540898 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606846 CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(=O)C1CC1)c1ccc(Cl)s1 InChI=1S/C27H36ClN5O2S/c1-16-29-23-15-31(27(35)18-3-4-18)11-10-24(23)33(16)21-13-19-5-6-20(14-21)32(19)12-9-22(30-17(2)34)25-7-8-26(28)36-25/h7-8,18-22H,3-6,9-15H2,1-2H3,(H,30,34)/t19?,20?,21?,22-/m0/s1 KLRCTYUDUKLCBZ-YTZNMQJJSA-N 314016 US10167299, Example 130 C-C chemokine receptor type 5 18.5 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314016&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126595655 383540899 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606847 CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(C)=O)c1ccc(F)s1 InChI=1S/C25H34FN5O2S/c1-15-27-22-14-29(17(3)33)10-9-23(22)31(15)20-12-18-4-5-19(13-20)30(18)11-8-21(28-16(2)32)24-6-7-25(26)34-24/h6-7,18-21H,4-5,8-14H2,1-3H3,(H,28,32)/t18?,19?,20?,21-/m0/s1 AKGVTCKXLOPZDA-FNNAPWSISA-N 314017 US10167299, Example 131 C-C chemokine receptor type 5 6.57 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314017&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668178 383540900 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606848 CC(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nc2CN(CCc12)C(=O)C1CC1)c1ccc(F)s1 InChI=1S/C27H36FN5O2S/c1-16-29-23-15-31(27(35)18-3-4-18)11-10-24(23)33(16)21-13-19-5-6-20(14-21)32(19)12-9-22(30-17(2)34)25-7-8-26(28)36-25/h7-8,18-22H,3-6,9-15H2,1-2H3,(H,30,34)/t19?,20?,21?,22-/m0/s1 DNLUWWPOKWMOMH-YTZNMQJJSA-N 314018 US10167299, Example 132 C-C chemokine receptor type 5 22.2 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314018&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126595663 383540901 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606849 COC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(F)s1 InChI=1S/C25H34FN5O3S/c1-15-27-21-14-29(25(33)34-3)10-9-22(21)31(15)19-12-17-4-5-18(13-19)30(17)11-8-20(28-16(2)32)23-6-7-24(26)35-23/h6-7,17-20H,4-5,8-14H2,1-3H3,(H,28,32)/t17?,18?,19?,20-/m0/s1 UJPWGHCGIBAORC-WSXZXBBNSA-N 314019 US10167299, Example 133 C-C chemokine receptor type 5 1.79 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314019&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126567275 383540902 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606850 CCC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(F)s1 InChI=1S/C26H36FN5O2S/c1-4-26(34)30-11-10-23-22(15-30)28-16(2)32(23)20-13-18-5-6-19(14-20)31(18)12-9-21(29-17(3)33)24-7-8-25(27)35-24/h7-8,18-21H,4-6,9-15H2,1-3H3,(H,29,33)/t18?,19?,20?,21-/m0/s1 VLJYJOWVDOWRMN-FNNAPWSISA-N 314020 US10167299, Example 134 C-C chemokine receptor type 5 22.1 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314020&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668252 383540903 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606851 CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(F)s1 InChI=1S/C27H38FN5O2S/c1-16(2)27(35)31-11-10-24-23(15-31)29-17(3)33(24)21-13-19-5-6-20(14-21)32(19)12-9-22(30-18(4)34)25-7-8-26(28)36-25/h7-8,16,19-22H,5-6,9-15H2,1-4H3,(H,30,34)/t19?,20?,21?,22-/m0/s1 GZVIZJVQQUZMAW-YTZNMQJJSA-N 314021 US10167299, Example 135 C-C chemokine receptor type 5 8.28 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314021&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668238 383540904 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606852 CCCC(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(F)s1 InChI=1S/C27H38FN5O2S/c1-4-5-27(35)31-12-11-24-23(16-31)29-17(2)33(24)21-14-19-6-7-20(15-21)32(19)13-10-22(30-18(3)34)25-8-9-26(28)36-25/h8-9,19-22H,4-7,10-16H2,1-3H3,(H,30,34)/t19?,20?,21?,22-/m0/s1 LSIWUGZIAAQKEE-YTZNMQJJSA-N 314022 US10167299, Example 136 C-C chemokine receptor type 5 22.1 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314022&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668128 383540905 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606853 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(C)=O)s1 InChI=1S/C29H42F2N6O2S/c1-17(2)27-35-34-18(3)37(27)23-15-21-5-6-22(16-23)36(21)14-11-24(25-7-8-26(40-25)32-19(4)38)33-28(39)20-9-12-29(30,31)13-10-20/h7-8,17,20-24H,5-6,9-16H2,1-4H3,(H,32,38)(H,33,39)/t21?,22?,23?,24-/m0/s1 YZQYFHAAGZCTKW-GVWQBGCGSA-N 314023 US10167299, Example 137 C-C chemokine receptor type 5 8.23 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314023&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219307 383540906 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606854 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(NC(C)=O)s1 InChI=1S/C29H44N6O2S/c1-18(2)28-33-32-19(3)35(28)24-16-22-10-11-23(17-24)34(22)15-14-25(26-12-13-27(38-26)30-20(4)36)31-29(37)21-8-6-5-7-9-21/h12-13,18,21-25H,5-11,14-17H2,1-4H3,(H,30,36)(H,31,37)/t22?,23?,24?,25-/m0/s1 SWYGIVFOKBWAOJ-DGGBHQDZSA-N 314024 US10167299, Example 138 C-C chemokine receptor type 5 9.75 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314024&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219305 383540907 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606855 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(NC(C)=O)s1 InChI=1S/C28H42N6O2S/c1-17(2)27-32-31-18(3)34(27)23-15-21-9-10-22(16-23)33(21)14-13-24(30-28(36)20-7-5-6-8-20)25-11-12-26(37-25)29-19(4)35/h11-12,17,20-24H,5-10,13-16H2,1-4H3,(H,29,35)(H,30,36)/t21?,22?,23?,24-/m0/s1 KSZQWOSAROPXFU-GVWQBGCGSA-N 314025 US10167299, Example 139 C-C chemokine receptor type 5 12.3 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314025&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219285 383540908 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606856 CNC(=O)c1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCC(F)(F)CC1 InChI=1S/C29H42F2N6O2S/c1-17(2)26-35-34-18(3)37(26)22-15-20-5-6-21(16-22)36(20)14-11-23(24-7-8-25(40-24)28(39)32-4)33-27(38)19-9-12-29(30,31)13-10-19/h7-8,17,19-23H,5-6,9-16H2,1-4H3,(H,32,39)(H,33,38)/t20?,21?,22?,23-/m0/s1 IHMQPHDAUKUWER-JVLTXYAPSA-N 314026 US10167299, Example 140 C-C chemokine receptor type 5 13.7 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314026&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219290 383540909 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606857 CNC(=O)c1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCCC1 InChI=1S/C29H44N6O2S/c1-18(2)27-33-32-19(3)35(27)23-16-21-10-11-22(17-23)34(21)15-14-24(25-12-13-26(38-25)29(37)30-4)31-28(36)20-8-6-5-7-9-20/h12-13,18,20-24H,5-11,14-17H2,1-4H3,(H,30,37)(H,31,36)/t21?,22?,23?,24-/m0/s1 XMUCXZCPULINRA-GVWQBGCGSA-N 314027 US10167299, Example 141 C-C chemokine receptor type 5 8.36 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314027&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219289 383540910 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606858 CNC(=O)c1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCC1 InChI=1S/C28H42N6O2S/c1-17(2)26-32-31-18(3)34(26)22-15-20-9-10-21(16-22)33(20)14-13-23(30-27(35)19-7-5-6-8-19)24-11-12-25(37-24)28(36)29-4/h11-12,17,19-23H,5-10,13-16H2,1-4H3,(H,29,36)(H,30,35)/t20?,21?,22?,23-/m0/s1 BNWFVBYZJZHVLY-JVLTXYAPSA-N 314028 US10167299, Example 142 C-C chemokine receptor type 5 9.55 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314028&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219314 383540911 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606859 CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(s1)C#N InChI=1S/C28H38N6O2S/c1-17(2)28(36)32-11-10-26-25(16-32)30-18(3)34(26)22-13-20-5-6-21(14-22)33(20)12-9-24(31-19(4)35)27-8-7-23(15-29)37-27/h7-8,17,20-22,24H,5-6,9-14,16H2,1-4H3,(H,31,35)/t20?,21?,22?,24-/m0/s1 SVDWJXFJFBANRH-QLEIAVNASA-N 314029 US10167299, Example 143::US10167299, Example 144 C-C chemokine receptor type 5 13.9 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314029&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668188 383540912 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606860 CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(s1)C#N InChI=1S/C28H38N6O2S/c1-17(2)28(36)32-11-10-26-25(16-32)30-18(3)34(26)22-13-20-5-6-21(14-22)33(20)12-9-24(31-19(4)35)27-8-7-23(15-29)37-27/h7-8,17,20-22,24H,5-6,9-14,16H2,1-4H3,(H,31,35)/t20?,21?,22?,24-/m0/s1 SVDWJXFJFBANRH-QLEIAVNASA-N 314029 US10167299, Example 143::US10167299, Example 144 C-C chemokine receptor type 5 8.53 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314029&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668188 383540912 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606861 CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1cc(C)cs1 InChI=1S/C28H41N5O2S/c1-17(2)28(35)31-10-9-26-25(15-31)29-19(4)33(26)23-13-21-6-7-22(14-23)32(21)11-8-24(30-20(5)34)27-12-18(3)16-36-27/h12,16-17,21-24H,6-11,13-15H2,1-5H3,(H,30,34)/t21?,22?,23?,24-/m0/s1 JZPMTANTFTTXMD-GVWQBGCGSA-N 314031 US10167299, Example 145 C-C chemokine receptor type 5 13.3 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314031&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 122668131 383540913 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606862 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1cccs1 InChI=1S/C27H42N6O3S2/c1-18(2)26-30-29-19(3)33(26)23-16-21-7-8-22(17-23)32(21)14-11-24(25-6-5-15-37-25)28-27(34)20-9-12-31(13-10-20)38(4,35)36/h5-6,15,18,20-24H,7-14,16-17H2,1-4H3,(H,28,34)/t21?,22?,23?,24-/m0/s1 FHPSAWJCCHCOLJ-GVWQBGCGSA-N 314032 US10167299, Example 146 C-C chemokine receptor type 5 1.75 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314032&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219319 383540914 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606863 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(C)s1 InChI=1S/C28H44N6O3S2/c1-18(2)27-31-30-20(4)34(27)24-16-22-7-8-23(17-24)33(22)15-12-25(26-9-6-19(3)38-26)29-28(35)21-10-13-32(14-11-21)39(5,36)37/h6,9,18,21-25H,7-8,10-17H2,1-5H3,(H,29,35)/t22?,23?,24?,25-/m0/s1 DNEBYUITDMGYTI-DGGBHQDZSA-N 314033 US10167299, Example 147 C-C chemokine receptor type 5 2.48 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314033&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219323 383540915 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606864 COc1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCN(CC1)S(C)(=O)=O InChI=1S/C28H44N6O4S2/c1-18(2)27-31-30-19(3)34(27)23-16-21-6-7-22(17-23)33(21)15-12-24(25-8-9-26(38-4)39-25)29-28(35)20-10-13-32(14-11-20)40(5,36)37/h8-9,18,20-24H,6-7,10-17H2,1-5H3,(H,29,35)/t21?,22?,23?,24-/m0/s1 PESZVXLPHRHLGH-GVWQBGCGSA-N 314034 US10167299, Example 148 C-C chemokine receptor type 5 3.42 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314034&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219287 383540916 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606865 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(s1)[N+]#[C-] InChI=1S/C28H41N7O3S2/c1-18(2)27-32-31-19(3)35(27)23-16-21-6-7-22(17-23)34(21)15-12-24(25-8-9-26(29-4)39-25)30-28(36)20-10-13-33(14-11-20)40(5,37)38/h8-9,18,20-24H,6-7,10-17H2,1-3,5H3,(H,30,36)/t21?,22?,23?,24-/m0/s1 HHOPDVUTHZLVSA-GVWQBGCGSA-N 314035 US10167299, Example 149 C-C chemokine receptor type 5 7.89 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314035&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 138106803 383540917 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606866 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(Cl)s1 InChI=1S/C27H41ClN6O3S2/c1-17(2)26-31-30-18(3)34(26)22-15-20-5-6-21(16-22)33(20)14-11-23(24-7-8-25(28)38-24)29-27(35)19-9-12-32(13-10-19)39(4,36)37/h7-8,17,19-23H,5-6,9-16H2,1-4H3,(H,29,35)/t20?,21?,22?,23-/m0/s1 ZBWFTUXXQIYLSS-JVLTXYAPSA-N 314036 US10167299, Example 150 C-C chemokine receptor type 5 2.22 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314036&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219288 383540918 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606867 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(F)s1 InChI=1S/C27H41FN6O3S2/c1-17(2)26-31-30-18(3)34(26)22-15-20-5-6-21(16-22)33(20)14-11-23(24-7-8-25(28)38-24)29-27(35)19-9-12-32(13-10-19)39(4,36)37/h7-8,17,19-23H,5-6,9-16H2,1-4H3,(H,29,35)/t20?,21?,22?,23-/m0/s1 PQDGWESNVKMBCV-JVLTXYAPSA-N 314037 N-[(1S)-3-[exo-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane-8-yl]-1-(5-fluorothiophen-2-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide::US10167299, Example 151 C-C chemokine receptor type 5 3.45 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314037&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219327 383540919 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606868 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1ncnn1)c1cccs1 InChI=1S/C23H33N9OS/c1-15(2)23-28-27-16(3)32(23)19-11-17-6-7-18(12-19)30(17)9-8-20(21-5-4-10-34-21)26-22(33)13-31-25-14-24-29-31/h4-5,10,14-15,17-20H,6-9,11-13H2,1-3H3,(H,26,33)/t17?,18?,19?,20-/m0/s1 PLOWHWBMSCJLLG-WSXZXBBNSA-N 314038 US10167299, Example 152 C-C chemokine receptor type 5 7.98 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314038&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219292 383540920 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606869 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1ncnn1)c1ccc(C)s1 InChI=1S/C24H35N9OS/c1-15(2)24-29-28-17(4)33(24)20-11-18-6-7-19(12-20)31(18)10-9-21(22-8-5-16(3)35-22)27-23(34)13-32-26-14-25-30-32/h5,8,14-15,18-21H,6-7,9-13H2,1-4H3,(H,27,34)/t18?,19?,20?,21-/m0/s1 ZBRWKPKHRDMDAS-FNNAPWSISA-N 314039 US10167299, Example 153 C-C chemokine receptor type 5 13.4 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314039&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219294 383540921 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606870 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1ncnn1)c1ccc(CO)s1 InChI=1S/C24H35N9O2S/c1-15(2)24-29-28-16(3)33(24)19-10-17-4-5-18(11-19)31(17)9-8-21(22-7-6-20(13-34)36-22)27-23(35)12-32-26-14-25-30-32/h6-7,14-15,17-19,21,34H,4-5,8-13H2,1-3H3,(H,27,35)/t17?,18?,19?,21-/m0/s1 INASGYWXSWLMAC-GJFGYCNFSA-N 314040 US10167299, Example 154 C-C chemokine receptor type 5 23.1 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314040&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585498 383540922 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606871 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1ncnn1)c1ccc(s1)[N+]#[C-] InChI=1S/C24H32N10OS/c1-15(2)24-30-29-16(3)34(24)19-11-17-5-6-18(12-19)32(17)10-9-20(21-7-8-23(25-4)36-21)28-22(35)13-33-27-14-26-31-33/h7-8,14-15,17-20H,5-6,9-13H2,1-3H3,(H,28,35)/t17?,18?,19?,20-/m0/s1 IULPEAKRNXDIGA-WSXZXBBNSA-N 314041 US10167299, Example 155 C-C chemokine receptor type 5 8.23 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314041&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 138106804 383540923 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606872 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1ncnn1)c1ccc(Cl)s1 InChI=1S/C23H32ClN9OS/c1-14(2)23-29-28-15(3)33(23)18-10-16-4-5-17(11-18)31(16)9-8-19(20-6-7-21(24)35-20)27-22(34)12-32-26-13-25-30-32/h6-7,13-14,16-19H,4-5,8-12H2,1-3H3,(H,27,34)/t16?,17?,18?,19-/m0/s1 QZQIAQCHNJHMCU-LFVBFMBRSA-N 314042 US10167299, Example 156 C-C chemokine receptor type 5 9.85 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314042&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219353 383540924 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606873 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1ncnn1)c1ccc(F)s1 InChI=1S/C23H32FN9OS/c1-14(2)23-29-28-15(3)33(23)18-10-16-4-5-17(11-18)31(16)9-8-19(20-6-7-21(24)35-20)27-22(34)12-32-26-13-25-30-32/h6-7,13-14,16-19H,4-5,8-12H2,1-3H3,(H,27,34)/t16?,17?,18?,19-/m0/s1 KONRXTVIFYXCGH-LFVBFMBRSA-N 314043 US10167299, Example 157 C-C chemokine receptor type 5 1.23 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314043&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219352 383540925 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606874 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1nnn[nH]1)c1cccs1 314044 US10167299, Example 158 C-C chemokine receptor type 5 14.9 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314044 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314044&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219346 383540926 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606875 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1nnn[nH]1)c1ccc(C)s1 314045 US10167299, Example 159 C-C chemokine receptor type 5 8.76 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314045&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219331 383540927 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606876 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1nnn[nH]1)c1ccc(CO)s1 314046 US10167299, Example 160 C-C chemokine receptor type 5 1.34 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314046&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585500 383540928 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606877 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1nnn[nH]1)c1ccc(s1)[N+]#[C-] 314047 US10167299, Example 161 C-C chemokine receptor type 5 8.36 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314047&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 138106805 383540929 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606878 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1nnn[nH]1)c1ccc(Cl)s1 314048 US10167299, Example 162 C-C chemokine receptor type 5 1.85 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314048&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219347 383540930 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606879 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cc1nnn[nH]1)c1ccc(F)s1 314049 US10167299, Example 163 C-C chemokine receptor type 5 13.3 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314049&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219351 383540931 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606880 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CC#N)c1cccs1 InChI=1S/C23H32N6OS/c1-15(2)23-27-26-16(3)29(23)19-13-17-6-7-18(14-19)28(17)11-9-20(21-5-4-12-31-21)25-22(30)8-10-24/h4-5,12,15,17-20H,6-9,11,13-14H2,1-3H3,(H,25,30)/t17?,18?,19?,20-/m0/s1 IKABGYYHMSTTEP-WSXZXBBNSA-N 314050 US10167299, Example 164 C-C chemokine receptor type 5 7.38 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314050&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219348 383540932 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606881 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CC#N)c1ccc(C)s1 InChI=1S/C24H34N6OS/c1-15(2)24-28-27-17(4)30(24)20-13-18-6-7-19(14-20)29(18)12-10-21(26-23(31)9-11-25)22-8-5-16(3)32-22/h5,8,15,18-21H,6-7,9-10,12-14H2,1-4H3,(H,26,31)/t18?,19?,20?,21-/m0/s1 PQGFHNMYQILCBU-FNNAPWSISA-N 314051 US10167299, Example 165 C-C chemokine receptor type 5 8.29 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314051&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219332 383540933 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606882 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CC#N)c1ccc(CO)s1 InChI=1S/C24H34N6O2S/c1-15(2)24-28-27-16(3)30(24)19-12-17-4-5-18(13-19)29(17)11-9-21(26-23(32)8-10-25)22-7-6-20(14-31)33-22/h6-7,15,17-19,21,31H,4-5,8-9,11-14H2,1-3H3,(H,26,32)/t17?,18?,19?,21-/m0/s1 ULYWBUHVURYINH-GJFGYCNFSA-N 314052 US10167299, Example 166 C-C chemokine receptor type 5 6.54 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314052&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 126585501 383540934 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606883 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CC#N)c1ccc(s1)[N+]#[C-] InChI=1S/C24H31N7OS/c1-15(2)24-29-28-16(3)31(24)19-13-17-5-6-18(14-19)30(17)12-10-20(27-22(32)9-11-25)21-7-8-23(26-4)33-21/h7-8,15,17-20H,5-6,9-10,12-14H2,1-3H3,(H,27,32)/t17?,18?,19?,20-/m0/s1 UIENHZGGDDMTKQ-WSXZXBBNSA-N 314053 US10167299, Example 167 C-C chemokine receptor type 5 7.98 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314053&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 138106806 383540935 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606884 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CC#N)c1ccc(Cl)s1 InChI=1S/C23H31ClN6OS/c1-14(2)23-28-27-15(3)30(23)18-12-16-4-5-17(13-18)29(16)11-9-19(26-22(31)8-10-25)20-6-7-21(24)32-20/h6-7,14,16-19H,4-5,8-9,11-13H2,1-3H3,(H,26,31)/t16?,17?,18?,19-/m0/s1 HWJLDIAGSMWADQ-LFVBFMBRSA-N 314054 US10167299, Example 168 C-C chemokine receptor type 5 1.54 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314054&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219297 383540936 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606885 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CC#N)c1ccc(F)s1 InChI=1S/C23H31FN6OS/c1-14(2)23-28-27-15(3)30(23)18-12-16-4-5-17(13-18)29(16)11-9-19(26-22(31)8-10-25)20-6-7-21(24)32-20/h6-7,14,16-19H,4-5,8-9,11-13H2,1-3H3,(H,26,31)/t16?,17?,18?,19-/m0/s1 GHKUQQNZUAWRKV-LFVBFMBRSA-N 314055 US10167299, Example 169 C-C chemokine receptor type 5 6.32 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314055&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219334 383540937 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606886 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(OC(C)=O)s1 InChI=1S/C29H43N5O3S/c1-18(2)28-32-31-19(3)34(28)24-16-22-10-11-23(17-24)33(22)15-14-25(26-12-13-27(38-26)37-20(4)35)30-29(36)21-8-6-5-7-9-21/h12-13,18,21-25H,5-11,14-17H2,1-4H3,(H,30,36)/t22?,23?,24?,25-/m0/s1 IIRKRZKZMFMJBL-DGGBHQDZSA-N 314056 US10167299, Example 170 C-C chemokine receptor type 5 1.38 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314056&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219335 383540938 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606887 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(s1)C(=O)N(C)C InChI=1S/C30H46N6O2S/c1-19(2)28-33-32-20(3)36(28)24-17-22-11-12-23(18-24)35(22)16-15-25(31-29(37)21-9-7-6-8-10-21)26-13-14-27(39-26)30(38)34(4)5/h13-14,19,21-25H,6-12,15-18H2,1-5H3,(H,31,37)/t22?,23?,24?,25-/m0/s1 FKIZKUVHZKEIQH-DGGBHQDZSA-N 314057 US10167299, Example 171 C-C chemokine receptor type 5 1.64 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=7256&target=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=314057&enzyme=C-C+chemokine+receptor+type+5&column=ki&startPg=0&Increment=50&submit=Search 118219306 383540939 1 MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL 4MBS,6MEO,6MET,7O7F C-C chemokine receptor type 5 CCR5_HUMAN P51681 O14692 O14693 O14695 O14696 O14697 O14698 O14699 O14700 O14701 O14702 O14703 O14704 O14705 O14706 O14707 O14708 O15538 Q9UPA4 606888 CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)Cn1cnnn1)c1cccs1 InChI=1S/C23H33N9OS/c1-15(2)23-27-26-16(3)32(23)19-11-17-6-7-18(12-19)31(17)9-8-20(21-5-4-10-34-21)25-22(33)13-30-14-24-28-29-30/h4-5,10,14-15,17-20H,6-9,11-13H2,1-3H3,(H,25,33)/t17?,18?,19?,20-/m0/s1 NFLZQAHYKWTVHN-WSXZXBBNSA-N 314058 US10167299, Example 172 C-C chemokine receptor type 5 9.38 US Patent 10.7270/Q2V126X2 aid1796456 US10167299 Liu, H; Wu, B; Zheng, Y; Xie, X; Jiang, H; Peng, P; Luo, R; Li, J; Li, J; Zhu, Y; Chen, Y; Zhang, H; Yang, L; Zhou, Y; Chen, K Shanghai Institute of Materia Medica, Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=314058 http://www.bindingdb.o