Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50020627   

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))	BDBM50215709 (CHEMBL1170 | Propionic acid (8R,9S,10R,13S,14S,17S...) Show SMILES CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:12| Show InChI InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50215713 (2-Chloro-4-((3aS,4R)-4-hydroxy-1,1,3-trioxo-tetrah...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N |r| Show InChI InChI=1S/C13H12ClN3O4S/c1-7-9(3-2-8(6-15)11(7)14)17-13(19)12-10(18)4-5-16(12)22(17,20)21/h2-3,10,12,18H,4-5H2,1H3/t10-,12+/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	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					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	2.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50215716 (2-chloro-4-((3aS,4R)-4-hydroxy-3a-methyl-1,1,3-tri...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@]2(C)[C@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C14H14ClN3O4S/c1-8-10(4-3-9(7-16)12(8)15)18-13(20)14(2)11(19)5-6-17(14)23(18,21)22/h3-4,11,19H,5-6H2,1-2H3/t11-,14+/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	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50215714 (2-chloro-4-((3aR,4R)-4-hydroxy-1,1-dioxo-tetrahydr...) Show SMILES Cc1c(Cl)c(ccc1N1C[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C13H14ClN3O3S/c1-8-10(3-2-9(6-15)13(8)14)17-7-11-12(18)4-5-16(11)21(17,19)20/h2-3,11-12,18H,4-5,7H2,1H3/t11-,12-/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	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50215710 (2-chloro-4-((3aR,4S)-4-hydroxy-3-methyl-1,1-dioxo-...) Show SMILES CC1[C@@H]2[C@@H](O)CCN2S(=O)(=O)N1c1ccc(C#N)c(Cl)c1C |w:1.0| Show InChI InChI=1S/C14H16ClN3O3S/c1-8-11(4-3-10(7-16)13(8)15)18-9(2)14-12(19)5-6-17(14)22(18,20)21/h3-4,9,12,14,19H,5-6H2,1-2H3/t9?,12-,14+/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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50215712 (2-chloro-4-((3aS,4S)-4-hydroxy-1,1,3-trioxo-tetrah...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C13H12ClN3O4S/c1-7-9(3-2-8(6-15)11(7)14)17-13(19)12-10(18)4-5-16(12)22(17,20)21/h2-3,10,12,18H,4-5H2,1H3/t10-,12-/m0/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	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) Show SMILES COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C Show InChI InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50215711 (2-chloro-4-((3aS,5S)-5-hydroxy-1,1,3-trioxo-tetrah...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2C[C@H](O)CN2S1(=O)=O)C#N Show InChI InChI=1S/C13H12ClN3O4S/c1-7-10(3-2-8(5-15)12(7)14)17-13(19)11-4-9(18)6-16(11)22(17,20)21/h2-3,9,11,18H,4,6H2,1H3/t9-,11-/m0/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	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50215719 (2-chloro-4-((3aR,4S)-4-hydroxy-1,1-dioxo-tetrahydr...) Show SMILES Cc1c(Cl)c(ccc1N1C[C@@H]2[C@@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C13H14ClN3O3S/c1-8-10(3-2-9(6-15)13(8)14)17-7-11-12(18)4-5-16(11)21(17,19)20/h2-3,11-12,18H,4-5,7H2,1H3/t11-,12+/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	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) Show SMILES COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C Show InChI InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215713 (2-Chloro-4-((3aS,4R)-4-hydroxy-1,1,3-trioxo-tetrah...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N |r| Show InChI InChI=1S/C13H12ClN3O4S/c1-7-9(3-2-8(6-15)11(7)14)17-13(19)12-10(18)4-5-16(12)22(17,20)21/h2-3,10,12,18H,4-5H2,1H3/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	11.9	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215715 ((2S,3R)-1-(3-chloro-4-cyano-2-methyl-phenylsulfamo...) Show SMILES Cc1c(Cl)c(ccc1NS(=O)(=O)N1CC[C@@H](O)[C@H]1C(O)=O)C#N Show InChI InChI=1S/C13H14ClN3O5S/c1-7-9(3-2-8(6-15)11(7)14)16-23(21,22)17-5-4-10(18)12(17)13(19)20/h2-3,10,12,16,18H,4-5H2,1H3,(H,19,20)/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215709 (CHEMBL1170 | Propionic acid (8R,9S,10R,13S,14S,17S...) Show SMILES CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:12| Show InChI InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215716 (2-chloro-4-((3aS,4R)-4-hydroxy-3a-methyl-1,1,3-tri...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@]2(C)[C@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C14H14ClN3O4S/c1-8-10(4-3-9(7-16)12(8)15)18-13(20)14(2)11(19)5-6-17(14)23(18,21)22/h3-4,11,19H,5-6H2,1-2H3/t11-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215717 ((2S,3R)-1-(3-chloro-4-cyano-2-methyl-phenylsulfamo...) Show SMILES COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1C Show InChI InChI=1S/C14H16ClN3O5S/c1-8-10(4-3-9(7-16)12(8)15)17-24(21,22)18-6-5-11(19)13(18)14(20)23-2/h3-4,11,13,17,19H,5-6H2,1-2H3/t11-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.46E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215718 ((2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenyls...) Show SMILES COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C Show InChI InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM50215714 (2-chloro-4-((3aR,4R)-4-hydroxy-1,1-dioxo-tetrahydr...) Show SMILES Cc1c(Cl)c(ccc1N1C[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C13H14ClN3O3S/c1-8-10(3-2-9(6-15)13(8)14)17-7-11-12(18)4-5-16(11)21(17,19)20/h2-3,11-12,18H,4-5,7H2,1H3/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.73E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215712 (2-chloro-4-((3aS,4S)-4-hydroxy-1,1,3-trioxo-tetrah...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@@H](O)CCN2S1(=O)=O)C#N Show InChI InChI=1S/C13H12ClN3O4S/c1-7-9(3-2-8(6-15)11(7)14)17-13(19)12-10(18)4-5-16(12)22(17,20)21/h2-3,10,12,18H,4-5H2,1H3/t10-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	0.440	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM50215711 (2-chloro-4-((3aS,5S)-5-hydroxy-1,1,3-trioxo-tetrah...) Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2C[C@H](O)CN2S1(=O)=O)C#N Show InChI InChI=1S/C13H12ClN3O4S/c1-7-10(3-2-8(5-15)12(7)14)17-13(19)11-4-9(18)6-16(11)22(17,20)21/h2-3,9,11,18H,4,6H2,1H3/t9-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.52E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50215710 (2-chloro-4-((3aR,4S)-4-hydroxy-3-methyl-1,1-dioxo-...) Show SMILES CC1[C@@H]2[C@@H](O)CCN2S(=O)(=O)N1c1ccc(C#N)c(Cl)c1C |w:1.0| Show InChI InChI=1S/C14H16ClN3O3S/c1-8-11(4-3-10(7-16)13(8)15)18-9(2)14-12(19)5-6-17(14)22(18,20)21/h3-4,9,12,14,19H,5-6H2,1-2H3/t9?,12-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.96E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay				Bioorg Med Chem Lett 17: 4487-90 (2007) Article DOI: 10.1016/j.bmcl.2007.06.007 BindingDB Entry DOI: 10.7270/Q2NV9HZ9
					More data for this Ligand-Target Pair