Compile Data Set for Download or QSAR

Found 3501 hits with Last Name = 'sun' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host 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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436682 (CHEMBL2396674) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@](C)(O)C1 Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436688 (CHEMBL2398473) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@H](O)C1 Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15-,20-,21-,23+,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436681 (CHEMBL2398479) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@H](C1)NS(C)(=O)=O Show InChI InChI=1S/C28H33Cl2FN4O4S/c1-27(2,3)13-21-28(18-9-8-14(29)10-20(18)33-26(28)37)22(17-6-5-7-19(30)23(17)31)24(34-21)25(36)32-15-11-16(12-15)35-40(4,38)39/h5-10,15-16,21-22,24,34-35H,11-13H2,1-4H3,(H,32,36)(H,33,37)/t15-,16-,21-,22-,24+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436685 (CHEMBL2398476) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)C1 Show InChI InChI=1S/C28H32Cl2FN3O3/c1-27(2,3)13-21-28(18-10-7-14(29)11-20(18)33-26(28)37)22(17-5-4-6-19(30)23(17)31)24(34-21)25(36)32-15-8-9-16(35)12-15/h4-7,10-11,15-16,21-22,24,34-35H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37)/t15-,16-,21-,22-,24+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) (Homo sapiens (Human))	BDBM179480 (US9675697, Cpd. No. 68) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c21 Show InChI InChI=1S/C26H23N5O2/c1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25/h6-11,27H,1-5H3,(H,28,29,30)	GoogleScholar	PC cid PC sid UniChem	Article US Patent	0.650	-52.4	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) Article DOI: 10.1021/jm970615f BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) (Homo sapiens (Human))	BDBM179633 (US9675697, Cpd. No. 316) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(C)CC4)c4ccccc34)c21 Show InChI InChI=1S/C33H33N7O3/c1-18-29(19(2)43-38-18)25-16-27-24(17-28(25)42-5)30-31(34-20(3)35-32(30)36-27)23-10-11-26(22-9-7-6-8-21(22)23)37-33(41)40-14-12-39(4)13-15-40/h6-11,16-17H,12-15H2,1-5H3,(H,37,41)(H,34,35,36)	GoogleScholar	PC cid PC sid UniChem	Article US Patent	0.820	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) Article DOI: 10.1021/jm970615f BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436689 (CHEMBL2398472) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC[C@H](O)CO Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37)/t15-,20-,21-,23+,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436686 (CHEMBL2398475) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@@H](O)C1 Show InChI InChI=1S/C28H32Cl2FN3O3/c1-27(2,3)13-21-28(18-10-7-14(29)11-20(18)33-26(28)37)22(17-5-4-6-19(30)23(17)31)24(34-21)25(36)32-15-8-9-16(35)12-15/h4-7,10-11,15-16,21-22,24,34-35H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37)/t15-,16+,21-,22-,24+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436683 (CHEMBL2398478) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@](C)(O)C1 Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) (Homo sapiens (Human))	BDBM179574 (US9675697, Cpd. No. 212) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3CCOCC3)c21 Show InChI InChI=1S/C35H43N7O4/c1-18(2)32-26(16-28(39-32)35(43)38-22-7-11-42(12-8-22)23-9-13-45-14-10-23)33-31-24-17-29(44-6)25(30-19(3)41-46-20(30)4)15-27(24)40-34(31)37-21(5)36-33/h15-18,22-23,39H,7-14H2,1-6H3,(H,38,43)(H,36,37,40)	GoogleScholar	PC cid PC sid UniChem	Article US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) Article DOI: 10.1021/jm970615f BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM112761 (US8629141, 31) Show SMILES COc1cc(ccc1NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21)C(O)=O Show InChI InChI=1S/C31H28Cl2FN3O5/c1-42-23-14-16(28(39)40)8-11-21(23)35-27(38)26-24(18-6-5-7-20(33)25(18)34)31(30(37-26)12-3-2-4-13-30)19-10-9-17(32)15-22(19)36-29(31)41/h5-11,14-15,24,26,37H,2-4,12-13H2,1H3,(H,35,38)(H,36,41)(H,39,40)/t24-,26+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM112757 (US8629141, 27) Show SMILES OC(=O)CCCNC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 Show InChI InChI=1S/C27H28Cl2FN3O4/c28-15-9-10-17-19(14-15)32-25(37)27(17)21(16-6-4-7-18(29)22(16)30)23(24(36)31-13-5-8-20(34)35)33-26(27)11-2-1-3-12-26/h4,6-7,9-10,14,21,23,33H,1-3,5,8,11-13H2,(H,31,36)(H,32,37)(H,34,35)/t21-,23+,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237744 (CHEMBL4072857) Show SMILES OC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 Show InChI InChI=1S/C32H34Cl2FN3O4/c33-18-7-8-20-22(17-18)36-27(40)32(20)23(19-5-4-6-21(34)24(19)35)25(37-31(32)9-2-1-3-10-31)26(39)38-30-14-11-29(12-15-30,13-16-30)28(41)42/h4-8,17,23,25,37H,1-3,9-16H2,(H,36,40)(H,38,39)(H,41,42)/t23-,25+,29?,30?,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237766 (CHEMBL4085815) Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1 Show InChI InChI=1S/C31H29Cl2FN4O5S/c1-44(42,43)38-27(39)17-8-11-19(12-9-17)35-28(40)26-24(20-6-5-7-22(33)25(20)34)31(30(37-26)14-3-2-4-15-30)21-13-10-18(32)16-23(21)36-29(31)41/h5-13,16,24,26,37H,2-4,14-15H2,1H3,(H,35,40)(H,36,41)(H,38,39)/t24-,26+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237745 (CHEMBL4064790) Show SMILES CC1(C)CCC2(CC1)N[C@H]([C@H](c1cccc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 Show InChI InChI=1S/C31H36Cl2FN3O3/c1-29(2)12-14-30(15-13-29)31(21-11-6-17(32)16-23(21)36-28(31)40)24(20-4-3-5-22(33)25(20)34)26(37-30)27(39)35-18-7-9-19(38)10-8-18/h3-6,11,16,18-19,24,26,37-38H,7-10,12-15H2,1-2H3,(H,35,39)(H,36,40)/t18-,19-,24-,26+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237763 (CHEMBL4084366) Show SMILES OC(=O)[C@H]1C[C@@H](C1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 Show InChI InChI=1S/C28H28Cl2FN3O4/c29-15-7-8-18-20(13-15)33-26(38)28(18)21(17-5-4-6-19(30)22(17)31)23(34-27(28)9-2-1-3-10-27)24(35)32-16-11-14(12-16)25(36)37/h4-8,13-14,16,21,23,34H,1-3,9-12H2,(H,32,35)(H,33,38)(H,36,37)/t14-,16-,21-,23+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM112773 (US8629141, 43) Show SMILES OC(=O)c1cccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)c1 Show InChI InChI=1S/C30H26Cl2FN3O4/c31-17-10-11-20-22(15-17)35-28(40)30(20)23(19-8-5-9-21(32)24(19)33)25(36-29(30)12-2-1-3-13-29)26(37)34-18-7-4-6-16(14-18)27(38)39/h4-11,14-15,23,25,36H,1-3,12-13H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50236827 (CHEMBL4066694) Show SMILES COc1cc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)ccc1C(O)=O Show InChI InChI=1S/C31H28Cl2FN3O5/c1-42-23-15-17(9-10-18(23)28(39)40)35-27(38)26-24(19-6-5-7-21(33)25(19)34)31(30(37-26)12-3-2-4-13-30)20-11-8-16(32)14-22(20)36-29(31)41/h5-11,14-15,24,26,37H,2-4,12-13H2,1H3,(H,35,38)(H,36,41)(H,39,40)/t24-,26+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343521 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCc2ccc(CCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 Show InChI InChI=1S/C60H80N14O6/c1-39(61-3)55(75)63-47-25-13-11-23-45-31-33-51(73(45)59(47)79)57(77)65-53(43-19-7-5-8-20-43)49-37-71(69-67-49)35-15-17-41-27-29-42(30-28-41)18-16-36-72-38-50(68-70-72)54(44-21-9-6-10-22-44)66-58(78)52-34-32-46-24-12-14-26-48(60(80)74(46)52)64-56(76)40(2)62-4/h5-10,19-22,27-30,37-40,45-48,51-54,61-62H,11-18,23-26,31-36H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t39-,40-,45-,46-,47-,48-,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393507 (CHEMBL2158053) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1)c1ccccc1)C(=O)CC(C)C Show InChI InChI=1S/C54H86N12O7S/c1-37(2)33-48(69)64-32-28-40-26-27-44(66(40)53(72)42(34-64)58-51(70)38(3)55-4)52(71)60-49(39-21-13-11-14-22-39)41-35-65(63-62-41)31-20-10-8-6-5-7-9-18-29-56-46(67)24-15-12-19-30-57-47(68)25-17-16-23-45-50-43(36-74-45)59-54(73)61-50/h11,13-14,21-22,35,37-38,40,42-45,49-50,55H,5-10,12,15-20,23-34,36H2,1-4H3,(H,56,67)(H,57,68)(H,58,70)(H,60,71)(H2,59,61,73)/t38-,40+,42-,43-,44-,45-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50343515 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2cn(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)nn2)nn1)c1ccccc1 Show InChI InChI=1S/C58H81N17O6/c1-38(59-3)53(76)61-45-26-13-11-24-43-28-30-49(74(43)57(45)80)55(78)63-51(40-19-7-5-8-20-40)47-36-72(69-66-47)32-16-15-23-42-35-71(68-65-42)33-17-18-34-73-37-48(67-70-73)52(41-21-9-6-10-22-41)64-56(79)50-31-29-44-25-12-14-27-46(58(81)75(44)50)62-54(77)39(2)60-4/h5-10,19-22,35-39,43-46,49-52,59-60H,11-18,23-34H2,1-4H3,(H,61,76)(H,62,77)(H,63,78)(H,64,79)/t38-,39-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50343516 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCNC(=O)NCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C57H82N16O7/c1-37(58-3)51(74)62-43-25-13-11-23-41-27-29-47(72(41)55(43)78)53(76)64-49(39-19-7-5-8-20-39)45-35-70(68-66-45)33-17-15-31-60-57(80)61-32-16-18-34-71-36-46(67-69-71)50(40-21-9-6-10-22-40)65-54(77)48-30-28-42-24-12-14-26-44(56(79)73(42)48)63-52(75)38(2)59-4/h5-10,19-22,35-38,41-44,47-50,58-59H,11-18,23-34H2,1-4H3,(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H2,60,61,80)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM50343517 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCOCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C58H84N14O7/c1-39(59-3)53(73)61-45-27-15-13-25-43-29-31-49(71(43)57(45)77)55(75)63-51(41-21-9-5-10-22-41)47-37-69(67-65-47)33-17-7-19-35-79-36-20-8-18-34-70-38-48(66-68-70)52(42-23-11-6-12-24-42)64-56(76)50-32-30-44-26-14-16-28-46(58(78)72(44)50)62-54(74)40(2)60-4/h5-6,9-12,21-24,37-40,43-46,49-52,59-60H,7-8,13-20,25-36H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t39-,40-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343518 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCc2ccc(CCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 Show InChI InChI=1S/C58H76N14O6/c1-37(59-3)53(73)61-45-21-13-11-19-43-27-29-49(71(43)57(45)77)55(75)63-51(41-15-7-5-8-16-41)47-35-69(67-65-47)33-31-39-23-25-40(26-24-39)32-34-70-36-48(66-68-70)52(42-17-9-6-10-18-42)64-56(76)50-30-28-44-20-12-14-22-46(58(78)72(44)50)62-54(74)38(2)60-4/h5-10,15-18,23-26,35-38,43-46,49-52,59-60H,11-14,19-22,27-34H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t37-,38-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343519 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCc2ccc(CCCCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 Show InChI InChI=1S/C66H92N14O6/c1-45(67-3)61(81)69-53-31-19-17-29-51-37-39-57(79(51)65(53)85)63(83)71-59(49-25-13-9-14-26-49)55-43-77(75-73-55)41-21-7-5-11-23-47-33-35-48(36-34-47)24-12-6-8-22-42-78-44-56(74-76-78)60(50-27-15-10-16-28-50)72-64(84)58-40-38-52-30-18-20-32-54(66(86)80(52)58)70-62(82)46(2)68-4/h9-10,13-16,25-28,33-36,43-46,51-54,57-60,67-68H,5-8,11-12,17-24,29-32,37-42H2,1-4H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t45-,46-,51-,52-,53-,54-,57-,58-,59-,60-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343515 ((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2cn(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)nn2)nn1)c1ccccc1 Show InChI InChI=1S/C58H81N17O6/c1-38(59-3)53(76)61-45-26-13-11-24-43-28-30-49(74(43)57(45)80)55(78)63-51(40-19-7-5-8-20-40)47-36-72(69-66-47)32-16-15-23-42-35-71(68-65-42)33-17-18-34-73-37-48(67-70-73)52(41-21-9-6-10-22-41)64-56(79)50-31-29-44-25-12-14-27-46(58(81)75(44)50)62-54(77)39(2)60-4/h5-10,19-22,35-39,43-46,49-52,59-60H,11-18,23-34H2,1-4H3,(H,61,76)(H,62,77)(H,63,78)(H,64,79)/t38-,39-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343516 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCNC(=O)NCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C57H82N16O7/c1-37(58-3)51(74)62-43-25-13-11-23-41-27-29-47(72(41)55(43)78)53(76)64-49(39-19-7-5-8-20-39)45-35-70(68-66-45)33-17-15-31-60-57(80)61-32-16-18-34-71-36-46(67-69-71)50(40-21-9-6-10-22-40)65-54(77)48-30-28-42-24-12-14-26-44(56(79)73(42)48)63-52(75)38(2)59-4/h5-10,19-22,35-38,41-44,47-50,58-59H,11-18,23-34H2,1-4H3,(H,62,74)(H,63,75)(H,64,76)(H,65,77)(H2,60,61,80)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343520 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCOCCCCOCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C56H80N14O8/c1-37(57-3)51(71)59-43-23-13-11-21-41-25-27-47(69(41)55(43)75)53(73)61-49(39-17-7-5-8-18-39)45-35-67(65-63-45)29-33-77-31-15-16-32-78-34-30-68-36-46(64-66-68)50(40-19-9-6-10-20-40)62-54(74)48-28-26-42-22-12-14-24-44(56(76)70(42)48)60-52(72)38(2)58-4/h5-10,17-20,35-38,41-44,47-50,57-58H,11-16,21-34H2,1-4H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237764 (CHEMBL4060006) Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(CC(O)=O)cs1 Show InChI InChI=1S/C28H26Cl2FN3O3S/c1-34-24(25-32-16(14-38-25)13-21(35)36)22(17-6-5-7-19(30)23(17)31)28(27(34)10-3-2-4-11-27)18-9-8-15(29)12-20(18)33-26(28)37/h5-9,12,14,22,24H,2-4,10-11,13H2,1H3,(H,33,37)(H,35,36)/t22-,24+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237734 (CHEMBL4098834) Show SMILES CS(=O)(=O)NC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 Show InChI InChI=1S/C33H37Cl2FN4O5S/c1-46(44,45)40-28(42)30-12-15-31(16-13-30,17-14-30)39-27(41)26-24(20-6-5-7-22(35)25(20)36)33(32(38-26)10-3-2-4-11-32)21-9-8-19(34)18-23(21)37-29(33)43/h5-9,18,24,26,38H,2-4,10-17H2,1H3,(H,37,43)(H,39,41)(H,40,42)/t24-,26+,30?,31?,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237739 (CHEMBL4091801) Show SMILES CCN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)C(=O)NC12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237759 (CHEMBL4064410) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 Show InChI InChI=1S/C30H32Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-6,9,12,15-16,18,23,25,36H,1-3,7-8,10-11,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t16-,18-,23-,25+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237768 (CHEMBL4063804) Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(cs1)C(O)=O Show InChI InChI=1S/C27H24Cl2FN3O3S/c1-33-22(23-31-19(13-37-23)24(34)35)20(15-6-5-7-17(29)21(15)30)27(26(33)10-3-2-4-11-26)16-9-8-14(28)12-18(16)32-25(27)36/h5-9,12-13,20,22H,2-4,10-11H2,1H3,(H,32,36)(H,34,35)/t20-,22+,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237747 (CHEMBL4083298) Show SMILES CC1(C)CCC2(CC1)N[C@H]([C@H](c1cccc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C32H30Cl2FN3O4/c1-30(2)12-14-31(15-13-30)32(21-11-8-18(33)16-23(21)37-29(32)42)24(20-4-3-5-22(34)25(20)35)26(38-31)27(39)36-19-9-6-17(7-10-19)28(40)41/h3-11,16,24,26,38H,12-15H2,1-2H3,(H,36,39)(H,37,42)(H,40,41)/t24-,26+,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237765 (CHEMBL4077687) Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1F Show InChI InChI=1S/C30H25Cl2F2N3O4/c31-15-7-10-19-22(13-15)36-28(41)30(19)23(18-5-4-6-20(32)24(18)34)25(37-29(30)11-2-1-3-12-29)26(38)35-16-8-9-17(27(39)40)21(33)14-16/h4-10,13-14,23,25,37H,1-3,11-12H2,(H,35,38)(H,36,41)(H,39,40)/t23-,25+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM112766 (US8629141, 36) Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cn1 Show InChI InChI=1S/C29H25Cl2FN4O4/c30-15-7-9-18-21(13-15)35-27(40)29(18)22(17-5-4-6-19(31)23(17)32)24(36-28(29)11-2-1-3-12-28)25(37)34-16-8-10-20(26(38)39)33-14-16/h4-10,13-14,22,24,36H,1-3,11-12H2,(H,34,37)(H,35,40)(H,38,39)/t22-,24+,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237738 (CHEMBL4064867) Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)C(=O)NC12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C33H36Cl2FN3O4/c1-39-26(27(40)38-31-15-12-30(13-16-31,14-17-31)29(42)43)24(20-6-5-7-22(35)25(20)36)33(32(39)10-3-2-4-11-32)21-9-8-19(34)18-23(21)37-28(33)41/h5-9,18,24,26H,2-4,10-17H2,1H3,(H,37,41)(H,38,40)(H,42,43)/t24-,26+,30?,31?,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237750 (CHEMBL4093562) Show SMILES OC(=O)C12CC(C1)(C2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 Show InChI InChI=1S/C29H28Cl2FN3O4/c30-15-7-8-17-19(11-15)33-24(37)29(17)20(16-5-4-6-18(31)21(16)32)22(34-28(29)9-2-1-3-10-28)23(36)35-27-12-26(13-27,14-27)25(38)39/h4-8,11,20,22,34H,1-3,9-10,12-14H2,(H,33,37)(H,35,36)(H,38,39)/t20-,22+,26?,27?,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM112759 (US8629141, 29) Show SMILES OC(=O)c1ccc(CNC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1 Show InChI InChI=1S/C31H28Cl2FN3O4/c32-19-11-12-21-23(15-19)36-29(41)31(21)24(20-5-4-6-22(33)25(20)34)26(37-30(31)13-2-1-3-14-30)27(38)35-16-17-7-9-18(10-8-17)28(39)40/h4-12,15,24,26,37H,1-3,13-14,16H2,(H,35,38)(H,36,41)(H,39,40)/t24-,26+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50248569 ((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...) Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 using variable cofactor NADPH concentration by Lineweaver burk plot				Bioorg Med Chem 16: 8922-31 (2008) Article DOI: 10.1016/j.bmc.2008.08.065 BindingDB Entry DOI: 10.7270/Q22F7N8T
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436687 (CHEMBL2398474) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1C[C@H](O)C1 Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15+,20-,21-,23+,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) (Homo sapiens (Human))	BDBM179638 (US9675697, Cpd. No. 319) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(C)CC3)c21 Show InChI InChI=1S/C34H40N6O3/c1-18-29(19(2)43-39-18)26-16-27-25(17-28(26)42-8)30-31(35-20(3)36-32(30)38-27)21-13-22(15-23(14-21)34(4,5)6)33(41)37-24-9-11-40(7)12-10-24/h13-17,24H,9-12H2,1-8H3,(H,37,41)(H,35,36,38)	GoogleScholar	PC cid PC sid UniChem	Article US Patent	1.10	-51.1	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) Article DOI: 10.1021/jm970615f BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237752 (CHEMBL4095706) Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)c(F)c1 Show InChI InChI=1S/C30H25Cl2F2N3O4/c31-16-8-9-18-22(14-16)36-28(41)30(18)23(17-5-4-6-19(32)24(17)34)25(37-29(30)11-2-1-3-12-29)26(38)35-21-10-7-15(27(39)40)13-20(21)33/h4-10,13-14,23,25,37H,1-3,11-12H2,(H,35,38)(H,36,41)(H,39,40)/t23-,25+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) (Homo sapiens (Human))	BDBM179493 (US9675697, Cpd. No. 211) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(C)CC3)c21 Show InChI InChI=1S/C31H37N7O3/c1-15(2)28-22(13-24(35-28)31(39)34-19-8-10-38(6)11-9-19)29-27-20-14-25(40-7)21(26-16(3)37-41-17(26)4)12-23(20)36-30(27)33-18(5)32-29/h12-15,19,35H,8-11H2,1-7H3,(H,34,39)(H,32,33,36)	GoogleScholar	PC cid PC sid UniChem	Article US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) Article DOI: 10.1021/jm970615f BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) (Homo sapiens (Human))	BDBM50343521 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCc2ccc(CCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 Show InChI InChI=1S/C60H80N14O6/c1-39(61-3)55(75)63-47-25-13-11-23-45-31-33-51(73(45)59(47)79)57(77)65-53(43-19-7-5-8-20-43)49-37-71(69-67-49)35-15-17-41-27-29-42(30-28-41)18-16-36-72-38-50(68-70-72)54(44-21-9-6-10-22-44)66-58(78)52-34-32-46-24-12-14-26-48(60(80)74(46)52)64-56(76)40(2)62-4/h5-10,19-22,27-30,37-40,45-48,51-54,61-62H,11-18,23-26,31-36H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t39-,40-,45-,46-,47-,48-,51-,52-,53-,54-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) (Homo sapiens (Human))	BDBM179491 (US9675697, Cpd. No. 197) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(CC4)C4COC4)c4ccccc34)c21 Show InChI InChI=1S/C36H36N6O4/c1-19-32(20(2)46-41-19)29-15-30-28(16-31(29)44-4)33-34(37-21(3)38-35(33)40-30)26-9-10-27(25-8-6-5-7-24(25)26)36(43)39-22-11-13-42(14-12-22)23-17-45-18-23/h5-10,15-16,22-23H,11-14,17-18H2,1-4H3,(H,39,43)(H,37,38,40)	GoogleScholar	PC cid PC sid UniChem	Article US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) Article DOI: 10.1021/jm970615f BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237741 (CHEMBL4071840) Show SMILES OC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCC(F)(F)CC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 Show InChI InChI=1S/C32H32Cl2F3N3O4/c33-17-4-5-19-21(16-17)38-26(42)32(19)22(18-2-1-3-20(34)23(18)35)24(39-30(32)12-14-31(36,37)15-13-30)25(41)40-29-9-6-28(7-10-29,8-11-29)27(43)44/h1-5,16,22,24,39H,6-15H2,(H,38,42)(H,40,41)(H,43,44)/t22-,24+,28?,29?,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) (Homo sapiens (Human))	BDBM179492 (US9675697, Cpd. No. 207) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)N4CCN(C)CC4)c4ccccc34)c21 Show InChI InChI=1S/C33H32N6O3/c1-18-29(19(2)42-37-18)26-16-27-25(17-28(26)41-5)30-31(34-20(3)35-32(30)36-27)23-10-11-24(22-9-7-6-8-21(22)23)33(40)39-14-12-38(4)13-15-39/h6-11,16-17H,12-15H2,1-5H3,(H,34,35,36)	GoogleScholar	PC cid PC sid UniChem	Article US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) Article DOI: 10.1021/jm970615f BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) (Homo sapiens (Human))	BDBM179490 (US9675697, Cpd. No. 196) Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(C)CC4)c4ccccc34)c21 Show InChI InChI=1S/C34H34N6O3/c1-18-30(19(2)43-39-18)27-16-28-26(17-29(27)42-5)31-32(35-20(3)36-33(31)38-28)24-10-11-25(23-9-7-6-8-22(23)24)34(41)37-21-12-14-40(4)15-13-21/h6-11,16-17,21H,12-15H2,1-5H3,(H,37,41)(H,35,36,38)	GoogleScholar	PC cid PC sid UniChem	Article US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...				US Patent US9675697 (2017) Article DOI: 10.1021/jm970615f BindingDB Entry DOI: 10.7270/Q2CC0XV6
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50343518 ((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCc2ccc(CCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 Show InChI InChI=1S/C58H76N14O6/c1-37(59-3)53(73)61-45-21-13-11-19-43-27-29-49(71(43)57(45)77)55(75)63-51(41-15-7-5-8-16-41)47-35-69(67-65-47)33-31-39-23-25-40(26-24-39)32-34-70-36-48(66-68-70)52(42-17-9-6-10-18-42)64-56(76)50-30-28-44-20-12-14-22-46(58(78)72(44)50)62-54(74)38(2)60-4/h5-10,15-18,23-26,35-38,43-46,49-52,59-60H,11-14,19-22,27-34H2,1-4H3,(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t37-,38-,43-,44-,45-,46-,49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay				J Med Chem 54: 3306-18 (2011) Article DOI: 10.1021/jm101651b BindingDB Entry DOI: 10.7270/Q2RJ4JSD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 3501 total )  |  Next  |  Last  >>

Jump to: