Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'lupisella' and Initial = 'ja'   

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
Androgen receptor (Homo sapiens (Human))	BDBM29321 (oxazolidin-2-imine, 6d) Show SMILES [H][C@@]12[C@@H](O)CCN1\C(O[C@@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	-54.8	n/a	n/a	19	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	-53.8	n/a	n/a	2.80	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM29323 (oxazolidin-2-imine, 6f) Show SMILES [H][C@@]12[C@H](O)CCN1\C(O[C@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12+,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	-53.8	n/a	n/a	1.40	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM29320 (BMS-665139 | oxazolidin-2-imine, 6c) Show SMILES [H][C@@]12[C@@H](O)CCN1\C(O[C@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	-53.8	n/a	n/a	0.200	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM29319 (oxazolidin-2-imine, 6b) Show SMILES [H][C@]12CO\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@@H]2O |r| Show InChI InChI=1S/C14H14ClN3O2/c1-8-10(3-2-9(6-16)13(8)15)17-14-18-5-4-12(19)11(18)7-20-14/h2-3,11-12,19H,4-5,7H2,1H3/b17-14-/t11-,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	-53.8	n/a	n/a	14	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM29324 (oxazolidin-2-imine, 6g) Show SMILES [H][C@@]12[C@H](O)CCN1\C(O[C@@H]2C(C)C)=N\c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C17H20ClN3O2/c1-9(2)16-15-13(22)6-7-21(15)17(23-16)20-12-5-4-11(8-19)14(18)10(12)3/h4-5,9,13,15-16,22H,6-7H2,1-3H3/b20-17-/t13-,15+,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	-51.7	n/a	n/a	3.70	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205111 (3-chloro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydr...) Show SMILES Cc1c(Cl)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:14.15,(22.97,-37.01,;22.21,-35.67,;20.67,-35.65,;19.89,-36.98,;19.91,-34.31,;20.69,-32.99,;22.22,-32.99,;22.99,-34.34,;24.53,-34.34,;26.08,-34.34,;18.37,-34.31,;17.48,-33.06,;17.96,-31.6,;16.01,-33.53,;14.55,-33.04,;14.08,-31.57,;13.63,-34.28,;14.54,-35.53,;16,-35.06,;17.46,-35.55,;17.93,-37.02,)| Show InChI InChI=1S/C14H12ClN3O3/c1-7-8(6-16)2-3-9(11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM29318 (oxazolidin-2-imine, 6a) Show SMILES [H][C@]12CO\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r| Show InChI InChI=1S/C14H14ClN3O2/c1-8-10(3-2-9(6-16)13(8)15)17-14-18-5-4-12(19)11(18)7-20-14/h2-3,11-12,19H,4-5,7H2,1H3/b17-14-/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	-51.4	n/a	n/a	4.80	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18162 ((1R,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4-diazatri...) Show SMILES Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)| Show InChI InChI=1S/C18H15N3O4/c22-17-16-10-5-6-11(9-10)19(16)18(23)20(17)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-4,7-8,10-11,22H,5-6,9H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	385	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205116 (2-bromo-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...) Show SMILES Cc1c(Br)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(21.54,-10.86,;22.32,-9.54,;23.86,-9.55,;24.62,-10.89,;24.64,-8.22,;23.87,-6.88,;22.33,-6.87,;21.56,-8.2,;20.02,-8.19,;19.13,-6.94,;19.61,-5.48,;17.66,-7.41,;16.2,-6.92,;15.73,-5.45,;15.28,-8.17,;16.19,-9.42,;17.65,-8.95,;19.11,-9.43,;19.58,-10.9,;26.18,-8.22,;27.72,-8.23,)| Show InChI InChI=1S/C14H12BrN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205114 (2-fluoro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydr...) Show SMILES Cc1c(F)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(21.37,-1.41,;22.15,-.08,;23.69,-.09,;24.45,-1.43,;24.47,1.24,;23.7,2.58,;22.16,2.59,;21.39,1.26,;19.85,1.27,;18.96,2.52,;19.44,3.98,;17.49,2.05,;16.03,2.54,;15.56,4.01,;15.11,1.29,;16.02,.04,;17.48,.51,;18.94,.03,;19.41,-1.44,;26.01,1.24,;27.55,1.23,)| Show InChI InChI=1S/C14H12FN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18169 ((7S,7aR)-7-hydroxy-2-(4-nitronaphthalen-1-yl)-hexa...) Show SMILES O[C@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C16H13N3O5/c20-13-7-8-17-14(13)15(21)18(16(17)22)11-5-6-12(19(23)24)10-4-2-1-3-9(10)11/h1-6,13,20-21H,7-8H2/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	-49.9	n/a	n/a	281	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205096 (2-chloro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydr...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(Cl)c1)c2=O Show InChI InChI=1S/C13H10ClN3O3/c14-9-5-8(2-1-7(9)6-15)17-12(19)11-10(18)3-4-16(11)13(17)20/h1-2,5,10,18-19H,3-4H2/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18165 ((6R)-6-hydroxy-2-(4-nitronaphthalen-1-yl)-hexahydr...) Show SMILES O[C@@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wD:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)| Show InChI InChI=1S/C16H13N3O5/c20-9-7-14-15(21)18(16(22)17(14)8-9)12-5-6-13(19(23)24)11-4-2-1-3-10(11)12/h1-6,9,20-21H,7-8H2/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	-49.9	n/a	n/a	320	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18176 (4-[(1S,7S,7aR)-7-hydroxy-1-methyl-3-oxo-hexahydro-...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H16ClN3O2/c1-8-11(4-3-10(7-17)13(8)16)19-9(2)14-12(20)5-6-18(14)15(19)21/h3-4,9,12,14,20H,5-6H2,1-2H3/t9-,12-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	-49.7	n/a	n/a	5.40	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18164 (2-(4-nitronaphthalen-1-yl)-hexahydro-1H-pyrrolo[1,...) Show SMILES Oc1c2CCCn2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |(-3.62,5.53,;-3.62,3.99,;-4.86,3.09,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-2.85,1.62,;-1.94,.38,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,)| Show InChI InChI=1S/C16H13N3O4/c20-15-14-6-3-9-17(14)16(21)18(15)12-7-8-13(19(22)23)11-5-2-1-4-10(11)12/h1-2,4-5,7-8,20H,3,6,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	-49.6	n/a	n/a	270	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM29326 (guanidine derivative, 12) Show SMILES [H][C@]12CN(C)\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r| Show InChI InChI=1S/C15H17ClN4O/c1-9-11(4-3-10(7-17)14(9)16)18-15-19(2)8-12-13(21)5-6-20(12)15/h3-4,12-13,21H,5-6,8H2,1-2H3/b18-15+/t12-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	-49.3	n/a	n/a	44	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18168 ((7R,7aS)-7-hydroxy-2-(4-nitronaphthalen-1-yl)-hexa...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C16H13N3O5/c20-13-7-8-17-14(13)15(21)18(16(17)22)11-5-6-12(19(23)24)10-4-2-1-3-9(10)11/h1-6,13,20-21H,7-8H2/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	-49.0	n/a	n/a	1.5	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18173 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |r,wU:12.13,(.01,.36,;.81,1.67,;2.35,1.63,;3.09,.28,;3.16,2.94,;2.42,4.3,;.88,4.34,;.08,3.02,;-1.46,3.02,;-1.94,4.49,;-1.03,5.73,;-3.48,4.49,;-4.72,5.39,;-4.72,6.93,;-5.97,4.49,;-5.5,3.02,;-3.95,3.02,;-2.71,2.12,;-2.71,.58,;4.7,2.9,;6.24,2.9,)| Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM29322 (oxazolidin-2-imine, 6e) Show SMILES [H][C@@]12[C@H](O)CCN1\C(O[C@@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12+,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	-48.8	n/a	n/a	1.10	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205100 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:17.18,(-.05,-49.74,;.73,-48.41,;-.03,-47.07,;.75,-45.75,;2.28,-45.75,;3.05,-47.09,;4.59,-47.09,;6.13,-47.1,;2.27,-48.42,;3.03,-49.77,;3.79,-51.1,;1.69,-50.53,;4.38,-49.01,;-1.57,-47.07,;-2.46,-45.82,;-1.98,-44.35,;-3.93,-46.28,;-5.39,-45.8,;-5.86,-44.33,;-6.31,-47.04,;-5.4,-48.29,;-3.94,-47.82,;-2.48,-48.3,;-2.01,-49.77,)| Show InChI InChI=1S/C15H12F3N3O3/c1-7-9(3-2-8(6-19)11(7)15(16,17)18)21-13(23)12-10(22)4-5-20(12)14(21)24/h2-3,10,22-23H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205113 (2-chloro-3-fluoro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(Cl)c1F)c2=O |wU:1.0,(-7.12,-24.7,;-6.65,-26.17,;-7.57,-27.42,;-6.66,-28.66,;-5.2,-28.19,;-5.19,-26.66,;-3.72,-26.19,;-3.24,-24.73,;-2.83,-27.44,;-1.29,-27.45,;-.52,-26.12,;1.02,-26.12,;1.79,-27.47,;3.33,-27.47,;4.87,-27.48,;1.01,-28.8,;1.77,-30.14,;-.53,-28.78,;-1.31,-30.11,;-3.74,-28.68,;-3.27,-30.15,)| Show InChI InChI=1S/C13H9ClFN3O3/c14-9-6(5-16)1-2-7(10(9)15)18-12(20)11-8(19)3-4-17(11)13(18)21/h1-2,8,19-20H,3-4H2/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18171 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18171 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.20	-48.0	n/a	n/a	2.30	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50205102 (3-ethyl-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...) Show SMILES CCc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:18.19,(4.34,-4.72,;3.58,-3.37,;4.36,-2.05,;3.6,-.71,;4.37,.62,;5.91,.61,;6.68,-.73,;8.22,-.73,;9.76,-.74,;5.9,-2.06,;6.66,-3.4,;7.42,-4.73,;5.32,-4.17,;8,-2.65,;2.06,-.7,;1.16,.55,;1.65,2.01,;-.3,.08,;-1.76,.57,;-2.23,2.04,;-2.68,-.68,;-1.77,-1.93,;-.31,-1.46,;1.15,-1.94,;1.62,-3.41,)| Show InChI InChI=1S/C16H14F3N3O3/c1-2-9-10(4-3-8(7-20)12(9)16(17,18)19)22-14(24)13-11(23)5-6-21(13)15(22)25/h3-4,11,23-24H,2,5-6H2,1H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18167 (4-(Tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c...) Show SMILES OC1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C16H13N3O5/c20-13-7-8-17-14(13)15(21)18(16(17)22)11-5-6-12(19(23)24)10-4-2-1-3-9(10)11/h1-6,13,20-21H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	-47.8	n/a	n/a	4.40	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205103 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES COc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(.83,-2.32,;1.61,-.99,;.85,.35,;-.69,.37,;-1.47,-.96,;-1.45,1.7,;-.68,3.03,;.86,3.03,;1.63,1.68,;3.17,1.68,;4.71,1.67,;-2.99,1.71,;-3.89,2.96,;-3.4,4.42,;-5.35,2.49,;-6.81,2.98,;-7.28,4.45,;-7.73,1.73,;-6.83,.49,;-5.36,.96,;-3.9,.47,;-3.44,-1,)| Show InChI InChI=1S/C15H15N3O4/c1-8-10(4-3-9(7-16)13(8)22-2)18-14(20)12-11(19)5-6-17(12)15(18)21/h3-4,11,19-20H,5-6H2,1-2H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205104 (2,3-difluoro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetra...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(F)c1F)c2=O |wU:1.0,(16.12,-15.47,;16.59,-16.94,;15.67,-18.19,;16.58,-19.44,;18.04,-18.97,;18.05,-17.43,;19.52,-16.97,;20,-15.5,;20.41,-18.21,;21.95,-18.22,;22.73,-16.89,;24.26,-16.9,;25.03,-18.24,;26.57,-18.24,;28.11,-18.25,;24.25,-19.57,;25.01,-20.91,;22.71,-19.56,;21.93,-20.89,;19.5,-19.45,;19.97,-20.92,)| Show InChI InChI=1S/C13H9F2N3O3/c14-9-6(5-16)1-2-7(10(9)15)18-12(20)11-8(19)3-4-17(11)13(18)21/h1-2,8,19-20H,3-4H2/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18166 ((6S)-6-hydroxy-2-(4-nitronaphthalen-1-yl)-hexahydr...) Show SMILES O[C@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wU:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)| Show InChI InChI=1S/C16H13N3O5/c20-9-7-14-15(21)18(16(22)17(14)8-9)12-5-6-13(19(23)24)11-4-2-1-3-10(11)12/h1-6,9,20-21H,7-8H2/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	-47.3	n/a	n/a	265	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205098 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES Cc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:14.15,(1.66,-40.91,;.9,-39.57,;-.64,-39.56,;-1.42,-40.88,;-1.4,-38.22,;-.62,-36.89,;.91,-36.9,;1.68,-38.24,;3.22,-38.24,;4.76,-38.25,;-2.94,-38.21,;-3.83,-36.96,;-3.35,-35.5,;-5.3,-37.43,;-6.76,-36.94,;-7.23,-35.47,;-7.68,-38.19,;-6.77,-39.44,;-5.31,-38.97,;-3.85,-39.45,;-3.38,-40.92,)| Show InChI InChI=1S/C15H15N3O3/c1-8-9(2)11(4-3-10(8)7-16)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,12,19-20H,5-6H2,1-2H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18172 (4-[(7S,7aR)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES O[C@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	-46.8	60	n/a	1.30E+3	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18170 (4-{7-hydroxy-1,3-dioxo-hexahydro-1H-pyrrolo[1,2-a]...) Show SMILES OC1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	-46.7	n/a	n/a	6.30	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18174 (4-[(7R,7aR)-7-hydroxy-3-oxo-hexahydro-1H-pyrrolo[1...) Show SMILES [H][C@]12CN(C(=O)N1CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C14H14ClN3O2/c1-8-10(3-2-9(6-16)13(8)15)18-7-11-12(19)4-5-17(11)14(18)20/h2-3,11-12,19H,4-5,7H2,1H3/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6	-46.5	n/a	n/a	6.40	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205107 (3-chloro-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydr...) Show SMILES COc1c(Cl)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(1.24,-38.75,;2.02,-37.42,;1.26,-36.08,;-.28,-36.06,;-1.06,-37.39,;-1.04,-34.73,;-.27,-33.4,;1.27,-33.4,;2.04,-34.75,;3.58,-34.75,;5.12,-34.76,;-2.58,-34.72,;-3.48,-33.47,;-2.99,-32.01,;-4.94,-33.94,;-6.4,-33.45,;-6.87,-31.98,;-7.32,-34.7,;-6.42,-35.94,;-4.95,-35.47,;-3.49,-35.96,;-3.02,-37.43,)| Show InChI InChI=1S/C14H12ClN3O4/c1-22-12-7(6-16)2-3-8(10(12)15)18-13(20)11-9(19)4-5-17(11)14(18)21/h2-3,9,19-20H,4-5H2,1H3/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205101 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)C(F)(F)F)c2=O Show InChI InChI=1S/C14H10F3N3O3/c15-14(16,17)9-5-8(2-1-7(9)6-18)20-12(22)11-10(21)3-4-19(11)13(20)23/h1-2,5,10,21-22H,3-4H2/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205110 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES COc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:18.19,(13.93,-47.01,;13.17,-45.67,;13.95,-44.34,;13.19,-43,;13.96,-41.68,;15.5,-41.68,;16.27,-43.03,;17.81,-43.03,;19.35,-43.03,;15.49,-44.36,;16.25,-45.7,;17.01,-47.03,;14.91,-46.46,;17.6,-44.95,;11.65,-43,;10.76,-41.75,;11.24,-40.29,;9.29,-42.22,;7.83,-41.73,;7.36,-40.26,;6.91,-42.97,;7.82,-44.22,;9.28,-43.75,;10.74,-44.24,;11.21,-45.71,)| Show InChI InChI=1S/C15H12F3N3O4/c1-25-12-8(3-2-7(6-19)10(12)15(16,17)18)21-13(23)11-9(22)4-5-20(11)14(21)24/h2-3,9,22-23H,4-5H2,1H3/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205112 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES Cc1c(ccc(C#N)c1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(-.55,-20.76,;.23,-19.43,;-.53,-18.1,;.25,-16.77,;1.78,-16.77,;2.56,-18.12,;4.1,-18.12,;5.64,-18.12,;1.77,-19.45,;2.53,-20.79,;3.29,-22.13,;-2.07,-18.09,;-2.96,-16.84,;-2.48,-15.38,;-4.43,-17.31,;-5.89,-16.82,;-6.36,-15.35,;-6.8,-18.07,;-5.9,-19.31,;-4.44,-18.84,;-2.98,-19.33,;-2.51,-20.8,)| Show InChI InChI=1S/C15H12N4O3/c1-8-10(7-17)9(6-16)2-3-11(8)19-14(21)13-12(20)4-5-18(13)15(19)22/h2-3,12,20-21H,4-5H2,1H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205099 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES COc1c(C)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:13.14,(-2.46,-47.7,;-3.22,-46.35,;-2.44,-45.03,;-.9,-45.04,;-.14,-46.38,;-.12,-43.71,;-.89,-42.37,;-2.42,-42.36,;-3.2,-43.69,;-4.74,-43.68,;-5.63,-42.44,;-5.15,-40.97,;-7.1,-42.9,;-8.56,-42.41,;-9.03,-40.94,;-9.47,-43.66,;-8.57,-44.91,;-7.11,-44.44,;-5.65,-44.92,;-5.18,-46.39,;1.42,-43.71,;2.97,-43.72,)| Show InChI InChI=1S/C15H15N3O4/c1-8-9(7-16)3-4-10(13(8)22-2)18-14(20)12-11(19)5-6-17(12)15(18)21/h3-4,11,19-20H,5-6H2,1-2H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205115 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES Cc1cc(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:11.12,(19.99,-30.33,;20.77,-29,;22.31,-29.02,;23.09,-27.69,;22.32,-26.34,;20.79,-26.34,;20.01,-27.66,;18.47,-27.66,;17.58,-26.41,;18.06,-24.95,;16.11,-26.88,;14.65,-26.39,;14.18,-24.92,;13.73,-27.63,;14.64,-28.88,;16.1,-28.41,;17.56,-28.9,;18.03,-30.37,;24.63,-27.69,;26.18,-27.69,)| Show InChI InChI=1S/C14H13N3O3/c1-8-6-9(7-15)2-3-10(8)17-13(19)12-11(18)4-5-16(12)14(17)20/h2-3,6,11,18-19H,4-5H2,1H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM29325 (guanidine derivative, 11) Show SMILES [H][C@]12CN=C(Nc3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r,t:3| Show InChI InChI=1S/C14H15ClN4O/c1-8-10(3-2-9(6-16)13(8)15)18-14-17-7-11-12(20)4-5-19(11)14/h2-3,11-12,20H,4-5,7H2,1H3,(H,17,18)/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	10	-45.2	n/a	n/a	1.80E+3	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205097 (3-ethyl-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro...) Show SMILES CCc1cc(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(4.34,-4.72,;3.58,-3.37,;4.36,-2.05,;5.9,-2.06,;6.68,-.73,;5.91,.61,;4.37,.62,;3.6,-.71,;2.06,-.7,;1.16,.55,;1.65,2.01,;-.3,.08,;-1.76,.57,;-2.23,2.04,;-2.68,-.68,;-1.77,-1.93,;-.31,-1.46,;1.15,-1.94,;1.62,-3.41,;8.22,-.73,;9.76,-.74,)| Show InChI InChI=1S/C15H15N3O3/c1-2-10-7-9(8-16)3-4-11(10)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,7,12,19-20H,2,5-6H2,1H3/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18173 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |r,wU:12.13,(.01,.36,;.81,1.67,;2.35,1.63,;3.09,.28,;3.16,2.94,;2.42,4.3,;.88,4.34,;.08,3.02,;-1.46,3.02,;-1.94,4.49,;-1.03,5.73,;-3.48,4.49,;-4.72,5.39,;-4.72,6.93,;-5.97,4.49,;-5.5,3.02,;-3.95,3.02,;-2.71,2.12,;-2.71,.58,;4.7,2.9,;6.24,2.9,)| Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	14	-44.4	n/a	n/a	7.80	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM29328 (cyanoguanidine, 15) Show SMILES [H][C@@]12[C@@H](O)CCN1\C(=N/C#N)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C16H16ClN5O/c1-9-12(4-3-11(7-18)14(9)17)22-10(2)15-13(23)5-6-21(15)16(22)20-8-19/h3-4,10,13,15,23H,5-6H2,1-2H3/b20-16+/t10-,13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	17	-43.9	n/a	n/a	1.11E+3	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM29327 (guanidine derivative, 13) Show SMILES [H][C@]12CN(C(N)=O)C(=Nc3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r,w:8.8| Show InChI InChI=1S/C15H16ClN5O2/c1-8-10(3-2-9(6-17)13(8)16)19-15-20-5-4-12(22)11(20)7-21(15)14(18)23/h2-3,11-12,22H,4-5,7H2,1H3,(H2,18,23)/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	19	-43.6	n/a	n/a	n/a	n/a	n/a	7.6	22
Bristol-Myers Squibb Company					Assay Description Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB...				J Med Chem 52: 2794-8 (2009) Article DOI: 10.1021/jm801583j BindingDB Entry DOI: 10.7270/Q2W66J30
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205108 (8-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3cccnc13)c2=O |wU:1.0,(15.06,5.91,;15.52,4.44,;14.61,3.19,;15.51,1.94,;16.98,2.41,;16.99,3.95,;18.45,4.42,;18.94,5.88,;19.35,3.17,;20.89,3.16,;21.66,4.49,;23.2,4.48,;23.97,3.14,;25.51,3.14,;27.05,3.13,;23.19,1.81,;23.96,.47,;23.18,-.86,;21.63,-.85,;20.87,.49,;21.65,1.82,;18.44,1.93,;18.9,.46,)| Show InChI InChI=1S/C16H12N4O3/c17-8-9-3-4-11(13-10(9)2-1-6-18-13)20-15(22)14-12(21)5-7-19(14)16(20)23/h1-4,6,12,21-22H,5,7H2/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18163 (4-[(1R,6R,7S)-3,5-dioxo-2,4-diazatricyclo[5.2.1.0^...) Show SMILES Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc(C#N)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;21.55,-7.96,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)| Show InChI InChI=1S/C19H15N3O2/c20-10-12-6-8-16(15-4-2-1-3-14(12)15)22-18(23)17-11-5-7-13(9-11)21(17)19(22)24/h1-4,6,8,11,13,23H,5,7,9H2/t11-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	-43.1	260	n/a	>1.00E+3	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205106 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES COc1cc(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O Show InChI InChI=1S/C14H13N3O4/c1-21-11-6-9(3-2-8(11)7-15)17-13(19)12-10(18)4-5-16(12)14(17)20/h2-3,6,10,18-19H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205105 (4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrr...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(cc1)C#N)c2=O Show InChI InChI=1S/C13H11N3O3/c14-7-8-1-3-9(4-2-8)16-12(18)11-10(17)5-6-15(11)13(16)19/h1-4,10,17-18H,5-6H2/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50205109 (5-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-pyrrolo...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)-c1ccccc1)c2=O Show InChI InChI=1S/C19H15N3O3/c20-11-13-6-7-14(10-15(13)12-4-2-1-3-5-12)22-18(24)17-16(23)8-9-21(17)19(22)25/h1-7,10,16,23-24H,8-9H2/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human AR				Bioorg Med Chem Lett 17: 1860-4 (2007) Article DOI: 10.1016/j.bmcl.2007.01.076 BindingDB Entry DOI: 10.7270/Q2S46RN1
					More data for this Ligand-Target Pair
N-formyl peptide receptor 2 (Homo sapiens (Human))	BDBM50559829 (CHEMBL4784510) Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2)c(F)c1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00079 BindingDB Entry DOI: 10.7270/Q2377DRF
					More data for this Ligand-Target Pair

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