Compile Data Set for Download or QSAR

Found 38 hits of ec50 for UniProtKB: P19091   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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)	BDBM50057651 (CHEMBL3326454) Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8| Show InChI InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00716 BindingDB Entry DOI: 10.7270/Q2J1076H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM50415086 (ACP-105 | CHEMBL570435) Show SMILES Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(C)(O)C2)C#N |r,TLB:15:14:8:10.11,7:8:14.17.13:10.11,THB:16:14:8:10.11| Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415095 (CHEMBL568786) Show SMILES CC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:2:1:9:5.6,10:9:1.3.8:5.6,THB:0:1:9:5.6| Show InChI InChI=1S/C19H20N2O/c1-19(22)10-14-7-8-15(11-19)21(14)18-9-6-13(12-20)16-4-2-3-5-17(16)18/h2-6,9,14-15,22H,7-8,10-11H2,1H3/t14-,15-/m1/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	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415094 (CHEMBL578199) Show SMILES OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C=C |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5| Show InChI InChI=1S/C20H20N2O/c1-2-20(23)11-15-8-9-16(12-20)22(15)19-10-7-14(13-21)17-5-3-4-6-18(17)19/h2-7,10,15-16,23H,1,8-9,11-12H2/t15-,16-/m1/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	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415093 (CHEMBL570463) Show SMILES OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C1CC1 |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5| Show InChI InChI=1S/C21H22N2O/c22-13-14-5-10-20(19-4-2-1-3-18(14)19)23-16-8-9-17(23)12-21(24,11-16)15-6-7-15/h1-5,10,15-17,24H,6-9,11-12H2/t16-,17-/m1/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	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415092 (CHEMBL570895) Show SMILES Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)C#N |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11| Show InChI InChI=1S/C15H17ClN2O/c1-9-14(5-2-10(8-17)15(9)16)18-11-3-4-12(18)7-13(19)6-11/h2,5,11-13,19H,3-4,6-7H2,1H3/t11-,12-/m1/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	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	BDBM50598597 (BMS-564929 | CHEMBL229264) Show SMILES [H][C@@]12[C@H](O)CCN1C(=O)N(C2=O)c1ccc(C#N)c(Cl)c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00716 BindingDB Entry DOI: 10.7270/Q2J1076H
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	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)	BDBM50415096 (CHEMBL568814) Show SMILES CCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:3:2:10:6.7,11:10:2.4.9:6.7,THB:1:2:10:6.7| Show InChI InChI=1S/C20H22N2O/c1-2-20(23)11-15-8-9-16(12-20)22(15)19-10-7-14(13-21)17-5-3-4-6-18(17)19/h3-7,10,15-16,23H,2,8-9,11-12H2,1H3/t15-,16-/m1/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	3.98	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.98	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM50415087 (CHEMBL570237) Show SMILES N#Cc1ccc(N2[C@@H]3CC[C@@H]2CCC3)c2ccccc12 |r,TLB:5:6:12.13.11:8.9| Show InChI InChI=1S/C18H18N2/c19-12-13-8-11-18(17-7-2-1-6-16(13)17)20-14-4-3-5-15(20)10-9-14/h1-2,6-8,11,14-15H,3-5,9-10H2/t14-,15-/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	3.98	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415100 (CHEMBL570413) Show SMILES CC(C)C1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:1:3:11:7.8| Show InChI InChI=1S/C21H24N2O/c1-14(2)21(24)11-16-8-9-17(12-21)23(16)20-10-7-15(13-22)18-5-3-4-6-19(18)20/h3-7,10,14,16-17,24H,8-9,11-12H2,1-2H3/t16-,17-/m1/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	5.01	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration against Androgen receptor				Bioorg Med Chem Lett 13: 1313-6 (2003) BindingDB Entry DOI: 10.7270/Q2SN09HR
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concnetration against Androgen receptor in mouse fibroblast L929 cells				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration on alkaline phosphatase activity in human T47D breast carcinoma cell line.				Bioorg Med Chem Lett 13: 1313-6 (2003) BindingDB Entry DOI: 10.7270/Q2SN09HR
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415097 (CHEMBL570897) Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12 Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.31	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					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)	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	12	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00716 BindingDB Entry DOI: 10.7270/Q2J1076H
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415088 (CHEMBL577196) Show SMILES OC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14-/m1/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	12.6	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415091 (CHEMBL576474) Show SMILES Cc1c(C)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)[N+]([O-])=O |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11| Show InChI InChI=1S/C15H20N2O3/c1-9-10(2)15(17(19)20)6-5-14(9)16-11-3-4-12(16)8-13(18)7-11/h5-6,11-13,18H,3-4,7-8H2,1-2H3/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12.6	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415099 (CHEMBL569985) Show SMILES CCCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:2:3:11:7.8| Show InChI InChI=1S/C21H24N2O/c1-2-11-21(24)12-16-8-9-17(13-21)23(16)20-10-7-15(14-22)18-5-3-4-6-19(18)20/h3-7,10,16-17,24H,2,8-9,11-13H2,1H3/t16-,17-/m1/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	15.8	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415098 (CHEMBL570898) Show SMILES N#Cc1ccc(N2CCCC2)c2ccccc12 Show InChI InChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2	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	15.8	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415089 (CHEMBL570410) Show SMILES COC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:1:2:9:5.6,10:9:2.3.8:5.6| Show InChI InChI=1S/C19H20N2O/c1-22-16-10-14-7-8-15(11-16)21(14)19-9-6-13(12-20)17-4-2-3-5-18(17)19/h2-6,9,14-16H,7-8,10-11H2,1H3/t14-,15-/m1/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	19.9	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415090 (CHEMBL576275) Show SMILES O=C1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C18H16N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-14H,6-7,9-10H2/t13-,14-/m1/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	100	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50258791 (4-(3-exo-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl)napht...) Show SMILES OC1CC2CCC(C1)N2c1ccc(C#N)c2ccccc12 |TLB:0:1:8:4.5,9:8:7.1.2:4.5| Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2	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	100	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					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)	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)	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)	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)	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)	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)	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
Androgen receptor (Mus musculus)	BDBM50126111 (4-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1...) Show SMILES CC1(C)OC(=S)Nc2ccc(cc12)-c1csc(c1)C#N Show InChI InChI=1S/C15H12N2OS2/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(19)18-15/h3-6,8H,1-2H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration against Androgen receptor				Bioorg Med Chem Lett 13: 1313-6 (2003) BindingDB Entry DOI: 10.7270/Q2SN09HR
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50126158 (3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexa...) Show SMILES Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N Show InChI InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Effective concentration against Androgen receptor in mouse fibroblast L929 cells				Bioorg Med Chem Lett 13: 1317-20 (2003) BindingDB Entry DOI: 10.7270/Q2WS8SNP
					More data for this Ligand-Target Pair