Compile Data Set for Download or QSAR

Found 39 hits of koff data for polymerid = 1421,1422,223,224,271,272,50000188,1421,1422,223,224,271,272,50000188   

Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB PubMed	n/a	n/a	n/a	n/a	n/a	0.000227	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM853 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1nccs1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1nccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C38H48N6O8S2/c1-21(2)27(33(47)39-5)43-35(49)31(51-19-23-7-11-25(12-8-23)37-41-15-17-53-37)29(45)30(46)32(36(50)44-28(22(3)4)34(48)40-6)52-20-24-9-13-26(14-10-24)38-42-16-18-54-38/h7-18,21-22,27-32,45-46H,19-20H2,1-6H3,(H,39,47)(H,40,48)(H,43,49)(H,44,50)/t27-,28-,29+,30+,31+,32+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.000303	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM854 (C2-Symmetric inhibitor 12 | CHEMBL127045 | N1,N6-B...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(\C=C\C(=O)OC)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(\C=C\C(=O)OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C40H54N4O12/c1-23(2)31(37(49)41-5)43-39(51)35(55-21-27-13-9-25(10-14-27)17-19-29(45)53-7)33(47)34(48)36(40(52)44-32(24(3)4)38(50)42-6)56-22-28-15-11-26(12-16-28)18-20-30(46)54-8/h9-20,23-24,31-36,47-48H,21-22H2,1-8H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52)/b19-17+,20-18+/t31-,32-,33+,34+,35+,36+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.000365	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM852 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccccn1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccccn1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-13-17-29(18-14-27)31-11-7-9-21-45-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-15-19-30(20-16-28)32-12-8-10-22-46-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.000373	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM848 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccsc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccsc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB PubMed	n/a	n/a	n/a	n/a	n/a	0.000432	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM855 ((2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis({[4-(2-hydroxy...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C44H58N4O12/c1-23(2)33(41(55)45-5)47-43(57)39(59-21-25-13-17-27(18-14-25)29-9-7-11-31(49)35(29)51)37(53)38(54)40(44(58)48-34(24(3)4)42(56)46-6)60-22-26-15-19-28(20-16-26)30-10-8-12-32(50)36(30)52/h13-20,23-24,29-30,33-34,37-40,53-54H,7-12,21-22H2,1-6H3,(H,45,55)(H,46,56)(H,47,57)(H,48,58)/t29?,30?,33-,34-,37+,38+,39+,40+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.000487	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50366785 (NELFINAVIR) Show SMILES Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26+,27-,29+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.000668	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121506 ((2R,3R,4R,5R)-3,4-Dihydroxy-2,5-bis-(3'-nitro-biph...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C44H52N6O12/c1-25(2)35(41(53)45-5)47-43(55)39(61-23-27-13-17-29(18-14-27)31-9-7-11-33(21-31)49(57)58)37(51)38(52)40(44(56)48-36(26(3)4)42(54)46-6)62-24-28-15-19-30(20-16-28)32-10-8-12-34(22-32)50(59)60/h7-22,25-26,35-40,51-52H,23-24H2,1-6H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t35-,36-,37+,38+,39+,40+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.000817	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB PubMed	n/a	n/a	n/a	n/a	n/a	0.00158	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM850 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(CCc2ccccc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(CCc2ccccc2)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C48H62N4O8/c1-31(2)39(45(55)49-5)51-47(57)43(59-29-37-25-21-35(22-26-37)19-17-33-13-9-7-10-14-33)41(53)42(54)44(48(58)52-40(32(3)4)46(56)50-6)60-30-38-27-23-36(24-28-38)20-18-34-15-11-8-12-16-34/h7-16,21-28,31-32,39-44,53-54H,17-20,29-30H2,1-6H3,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t39-,40-,41+,42+,43+,44+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.00163	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM845 ((2R,3R,4R,5R)-2,5-bis[(4-bromophenyl)methoxy]-3,4-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(Br)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(Br)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C32H44Br2N4O8/c1-17(2)23(29(41)35-5)37-31(43)27(45-15-19-7-11-21(33)12-8-19)25(39)26(40)28(46-16-20-9-13-22(34)14-10-20)32(44)38-24(18(3)4)30(42)36-6/h7-14,17-18,23-28,39-40H,15-16H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,24-,25+,26+,27+,28+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.00169	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB PubMed	n/a	n/a	n/a	n/a	n/a	0.00216	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM348 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C Show InChI InChI=1S/C32H46N4O8/c1-19(2)23(29(39)33-5)35-31(41)27(43-17-21-13-9-7-10-14-21)25(37)26(38)28(44-18-22-15-11-8-12-16-22)32(42)36-24(20(3)4)30(40)34-6/h7-16,19-20,23-28,37-38H,17-18H2,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)/t23-,24-,25+,26+,27+,28+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.00367	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121509 (3,4-Dihydroxy-2,5-dipropoxy-hexanedioic acid bis-[...) Show SMILES CCCO[C@H]([C@H](O)[C@@H](O)[C@@H](OCCC)C(=O)N[C@@H](C(C)C)C(=O)NC)C(=O)N[C@@H](C(C)C)C(=O)NC Show InChI InChI=1S/C24H46N4O8/c1-9-11-35-19(23(33)27-15(13(3)4)21(31)25-7)17(29)18(30)20(36-12-10-2)24(34)28-16(14(5)6)22(32)26-8/h13-20,29-30H,9-12H2,1-8H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t15-,16-,17+,18+,19+,20+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.00485	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM18137 (AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.00488	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50366324 (CHEMBL1790545 | U-75875) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35+,36+,39-,40+,41-,42-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.00544	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121502 (2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid b...) Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)NC1[C@@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30+,31?,32?,33-,34-,35-,36-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0133	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121507 (2-{[2,5-Bis-benzyloxy-3,4-dihydroxy-5-(2-hydroxy-i...) Show SMILES CC(C)C(N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC1[C@@H](O)Cc2ccccc12)C(O)=O Show InChI InChI=1S/C35H42N2O9/c1-21(2)28(35(43)44)37(3)34(42)32(46-20-23-14-8-5-9-15-23)30(40)29(39)31(45-19-22-12-6-4-7-13-22)33(41)36-27-25-17-11-10-16-24(25)18-26(27)38/h4-17,21,26-32,38-40H,18-20H2,1-3H3,(H,36,41)(H,43,44)/t26-,27?,28?,29+,30+,31+,32+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0227	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121522 (2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-methyl-propy...) Show SMILES CC(C)C(N(C)C(=O)[C@H](OCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(C)C)C(O)=O)C(O)=O Show InChI InChI=1S/C32H44N2O10/c1-19(2)23(31(39)40)33(5)29(37)27(43-17-21-13-9-7-10-14-21)25(35)26(36)28(44-18-22-15-11-8-12-16-22)30(38)34(6)24(20(3)4)32(41)42/h7-16,19-20,23-28,35-36H,17-18H2,1-6H3,(H,39,40)(H,41,42)/t23?,24?,25-,26-,27+,28+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0270	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM346 ((3R,4S,5S,6R)-4,5-dihydroxy-2,7-bis({[4-(hydroxyme...) Show SMILES OCc1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)S2(=O)=O)cc1 Show InChI InChI=1S/C34H38N2O8S/c37-21-27-15-11-25(12-16-27)19-35-31(23-43-29-7-3-1-4-8-29)33(39)34(40)32(24-44-30-9-5-2-6-10-30)36(45(35,41)42)20-26-13-17-28(22-38)18-14-26/h1-18,31-34,37-40H,19-24H2/t31-,32-,33+,34+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0273	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121496 (2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-methyl-propy...) Show SMILES CC(C)C(N(C)C(=O)[C@@H](C[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(C)C)C(O)=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C32H44N2O9/c1-20(2)26(31(38)39)33(5)29(36)25(42-18-22-13-9-7-10-14-22)17-24(35)28(43-19-23-15-11-8-12-16-23)30(37)34(6)27(21(3)4)32(40)41/h7-16,20-21,24-28,35H,17-19H2,1-6H3,(H,38,39)(H,40,41)/t24-,25-,26?,27?,28-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0309	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM342 ((3R,4S,5S,6R)-4,5-dihydroxy-2,7-bis({3-[(1E)-1-(hy...) Show SMILES CC(N=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)N=O)S2(=O)=O)c1 Show InChI InChI=1S/C36H40N4O8S/c1-25(37-43)29-13-9-11-27(19-29)21-39-33(23-47-31-15-5-3-6-16-31)35(41)36(42)34(24-48-32-17-7-4-8-18-32)40(49(39,45)46)22-28-12-10-14-30(20-28)26(2)38-44/h3-20,25-26,33-36,41-42H,21-24H2,1-2H3/t25?,26?,33-,34-,35+,36+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0420	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121512 (2-[(2,5-Bis-benzyloxy-5-{[1-carboxy-2-(4-hydroxy-p...) Show SMILES CN(C(Cc1ccc(O)cc1)C(O)=O)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C40H44N2O12/c1-41(31(39(49)50)21-25-13-17-29(43)18-14-25)37(47)35(53-23-27-9-5-3-6-10-27)33(45)34(46)36(54-24-28-11-7-4-8-12-28)38(48)42(2)32(40(51)52)22-26-15-19-30(44)20-16-26/h3-20,31-36,43-46H,21-24H2,1-2H3,(H,49,50)(H,51,52)/t31?,32?,33-,34-,35-,36-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0605	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121521 (2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-methyl-butyl...) Show SMILES CCC(C)C(N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(C)CC)C(O)=O)C(O)=O Show InChI InChI=1S/C34H48N2O10/c1-7-21(3)25(33(41)42)35(5)31(39)29(45-19-23-15-11-9-12-16-23)27(37)28(38)30(46-20-24-17-13-10-14-18-24)32(40)36(6)26(34(43)44)22(4)8-2/h9-18,21-22,25-30,37-38H,7-8,19-20H2,1-6H3,(H,41,42)(H,43,44)/t21?,22?,25?,26?,27-,28-,29-,30-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0677	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121498 (4-[4,5-Dihydroxy-7-(4-hydroxymethyl-benzyl)-1,1-di...) Show SMILES COC(=O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)S2(=O)=O)cc1 Show InChI InChI=1S/C35H38N2O9S/c1-44-35(41)28-18-16-26(17-19-28)21-37-32(24-46-30-10-6-3-7-11-30)34(40)33(39)31(23-45-29-8-4-2-5-9-29)36(47(37,42)43)20-25-12-14-27(22-38)15-13-25/h2-19,31-34,38-40H,20-24H2,1H3/t31-,32-,33+,34+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.0685	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM335 ((3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy...) Show SMILES CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccccc3)S2(=O)=O)c1 Show InChI InChI=1S/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars AffyNet	PDB PubMed	n/a	n/a	n/a	n/a	n/a	0.0697	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM344 ((3R,4S,5S,6R)-4,5-dihydroxy-2,7-bis({[3-(2-hydroxy...) Show SMILES OCCc1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(CCO)c3)S2(=O)=O)c1 Show InChI InChI=1S/C36H42N2O8S/c39-19-17-27-9-7-11-29(21-27)23-37-33(25-45-31-13-3-1-4-14-31)35(41)36(42)34(26-46-32-15-5-2-6-16-32)38(47(37,43)44)24-30-12-8-10-28(22-30)18-20-40/h1-16,21-22,33-36,39-42H,17-20,23-26H2/t33-,34-,35+,36+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.139	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121497 (2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-hydroxy-prop...) Show SMILES CC(O)C(N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(C(C)O)C(O)=O)C(O)=O Show InChI InChI=1S/C30H40N2O12/c1-17(33)21(29(39)40)31(3)27(37)25(43-15-19-11-7-5-8-12-19)23(35)24(36)26(44-16-20-13-9-6-10-14-20)28(38)32(4)22(18(2)34)30(41)42/h5-14,17-18,21-26,33-36H,15-16H2,1-4H3,(H,39,40)(H,41,42)/t17?,18?,21?,22?,23-,24-,25-,26-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.179	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121500 (2,5-Bis-benzyloxy-3-hydroxy-hexanedioic acid bis-[...) Show SMILES O[C@H](C[C@@H](OCc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)NC1[C@@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31+,32-,33-,34?,35?,36-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.234	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM326 ((3R,4S,5S,6R)-2,7-Bis[3-(N-methylcarbamoyl)benzyl]...) Show SMILES CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(=O)NC)S2(=O)=O)c1 Show InChI InChI=1S/C36H40N4O8S/c1-37-35(43)27-13-9-11-25(19-27)21-39-31(23-47-29-15-5-3-6-16-29)33(41)34(42)32(24-48-30-17-7-4-8-18-30)40(49(39,45)46)22-26-12-10-14-28(20-26)36(44)38-2/h3-20,31-34,41-42H,21-24H2,1-2H3,(H,37,43)(H,38,44)/t31-,32-,33+,34+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.263	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121493 (2-[2,5-Bis-benzyloxy-3,4-dihydroxy-5-(1-methoxycar...) Show SMILES COC(=O)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC(C(C)C)C(=O)OC)C(C)C Show InChI InChI=1S/C32H44N2O10/c1-19(2)23(31(39)41-5)33-29(37)27(43-17-21-13-9-7-10-14-21)25(35)26(36)28(44-18-22-15-11-8-12-16-22)30(38)34-24(20(3)4)32(40)42-6/h7-16,19-20,23-28,35-36H,17-18H2,1-6H3,(H,33,37)(H,34,38)/t23?,24?,25-,26-,27-,28-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.273	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121510 (CHEMBL150908 | N*1*-[1-Benzyl-3-(2-tert-butylcarba...) Show SMILES CC(C)(C)NC(=O)c1ccccc1NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C35H40N6O5/c1-35(2,3)41-32(44)24-14-8-10-16-26(24)37-21-30(42)28(19-22-11-5-4-6-12-22)39-34(46)29(20-31(36)43)40-33(45)27-18-17-23-13-7-9-15-25(23)38-27/h4-18,28-30,37,42H,19-21H2,1-3H3,(H2,36,43)(H,39,46)(H,40,45)(H,41,44)/t28-,29-,30-/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.373	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121501 (CHEMBL345603 | {1-[1-Benzyl-3-(2-tert-butylcarbamo...) Show SMILES CC(C)(C)NC(=O)c1ccccc1NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C33H41N5O6/c1-33(2,3)38-30(41)24-16-10-11-17-25(24)35-20-28(39)26(18-22-12-6-4-7-13-22)36-31(42)27(19-29(34)40)37-32(43)44-21-23-14-8-5-9-15-23/h4-17,26-28,35,39H,18-21H2,1-3H3,(H2,34,40)(H,36,42)(H,37,43)(H,38,41)/t26-,27-,28+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.436	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121514 (2-({2,5-Bis-benzyloxy-5-[(1-carboxy-3-methylsulfan...) Show SMILES CSCCC(N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(CCSC)C(O)=O)C(O)=O Show InChI InChI=1S/C32H44N2O10S2/c1-33(23(31(39)40)15-17-45-3)29(37)27(43-19-21-11-7-5-8-12-21)25(35)26(36)28(44-20-22-13-9-6-10-14-22)30(38)34(2)24(32(41)42)16-18-46-4/h5-14,23-28,35-36H,15-20H2,1-4H3,(H,39,40)(H,41,42)/t23?,24?,25-,26-,27-,28-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.474	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121517 (2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-phenyl-ethyl...) Show SMILES CN(C(Cc1ccccc1)C(O)=O)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C40H44N2O10/c1-41(31(39(47)48)23-27-15-7-3-8-16-27)37(45)35(51-25-29-19-11-5-12-20-29)33(43)34(44)36(52-26-30-21-13-6-14-22-30)38(46)42(2)32(40(49)50)24-28-17-9-4-10-18-28/h3-22,31-36,43-44H,23-26H2,1-2H3,(H,47,48)(H,49,50)/t31?,32?,33-,34-,35-,36-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	0.938	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121505 (2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid b...) Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C36H38N2O7/c39-29-20-27-18-10-11-19-28(27)30(29)38-36(43)34(45-23-26-16-8-3-9-17-26)32(41)31(40)33(44-22-25-14-6-2-7-15-25)35(42)37-21-24-12-4-1-5-13-24/h1-19,29-34,39-41H,20-23H2,(H,37,42)(H,38,43)/t29-,30?,31-,32-,33-,34-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50066919 ((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@H](C(=O)NC)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C38H42N4O8/c1-39-35(45)29(27-19-11-5-12-20-27)41-37(47)33(49-23-25-15-7-3-8-16-25)31(43)32(44)34(50-24-26-17-9-4-10-18-26)38(48)42-30(36(46)40-2)28-21-13-6-14-22-28/h3-22,29-34,43-44H,23-24H2,1-2H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)/t29-,30-,31+,32+,33+,34+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50121499 (5,6-Dihydroxy-1,3-bis-(4-hydroxymethyl-benzyl)-4,7...) Show SMILES OCc1ccc(CN2C(COc3ccccc3)[C@H](O)[C@@H](O)C(COc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 Show InChI InChI=1S/C35H38N2O7/c38-21-27-15-11-25(12-16-27)19-36-31(23-43-29-7-3-1-4-8-29)33(40)34(41)32(24-44-30-9-5-2-6-10-30)37(35(36)42)20-26-13-17-28(22-39)18-14-26/h1-18,31-34,38-41H,19-24H2/t31?,32?,33-,34-/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	n/a	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM150 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 Show InChI InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars AffyNet	PDB PubMed	n/a	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease				J Med Chem 45: 5430-9 (2002)
					More data for this Ligand-Target Pair				3D Structure (crystal)