Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'nirschl' and Initial = 'aa'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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)	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)	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
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM20878 ((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...) Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>8.00E+3	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					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)
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM20877 (3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...) Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	211	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					More data for this Ligand-Target Pair
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
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM20875 (1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...) Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM20880 ((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...) Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM20879 (C-aryl glucoside, 5 | CHEMBL429911 | N-ethyl-2,6-d...) Show SMILES CCNC(=O)c1c(O)c(Cc2ccc(OC)cc2)cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O Show InChI InChI=1S/C23H29NO9/c1-3-24-23(31)16-17(26)12(8-11-4-6-13(32-2)7-5-11)9-14(18(16)27)22-21(30)20(29)19(28)15(10-25)33-22/h4-7,9,15,19-22,25-30H,3,8,10H2,1-2H3,(H,24,31)/t15-,19-,20+,21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					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)	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
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM20878 ((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methox...) Show SMILES COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					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
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM20877 (3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...) Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					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
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM20875 (1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...) Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	35.6	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					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
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM20880 ((2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)me...) Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 Show InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.39E+3	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM20879 (C-aryl glucoside, 5 | CHEMBL429911 | N-ethyl-2,6-d...) Show SMILES CCNC(=O)c1c(O)c(Cc2ccc(OC)cc2)cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O Show InChI InChI=1S/C23H29NO9/c1-3-24-23(31)16-17(26)12(8-11-4-6-13(32-2)7-5-11)9-14(18(16)27)22-21(30)20(29)19(28)15(10-25)33-22/h4-7,9,15,19-22,25-30H,3,8,10H2,1-2H3,(H,24,31)/t15-,19-,20+,21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>8.00E+3	n/a	n/a	7.2	22
Bristol-Myers Squibb Company					Assay Description Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitt...				J Med Chem 51: 1145-9 (2008) Article DOI: 10.1021/jm701272q BindingDB Entry DOI: 10.7270/Q2PN93X4
					More data for this Ligand-Target Pair