Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'bohl' and Initial = 'c'   

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 (Rattus norvegicus (Rat))	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	0.270	-50.8	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18699 ((2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trif...) Show SMILES C[C@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM26260 ((2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2...) Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(I)c1 |r| Show InChI InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	0.540	-49.2	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18177 (4-[(1S,7S,7aR)-1-ethyl-7-hydroxy-3-oxo-hexahydro-1...) Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C16H18ClN3O2/c1-3-11-15-13(21)6-7-19(15)16(22)20(11)12-5-4-10(8-18)14(17)9(12)2/h4-5,11,13,15,21H,3,6-7H2,1-2H3/t11-,13-,15+/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50258751 ((R)-2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-1,1,...) Show SMILES O[C@](C=C)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C11H7Cl2F3N2O/c1-2-10(19,11(14,15)16)9-17-7-3-5(12)6(13)4-8(7)18-9/h2-4,19H,1H2,(H,17,18)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM26262 ((2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromet...) Show SMILES C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H10F8N2O5/c1-16(29,5-32-14-12(21)10(19)9(18)11(20)13(14)22)15(28)26-6-2-3-8(27(30)31)7(4-6)17(23,24)25/h2-4,29H,5H2,1H3,(H,26,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.40	-47.0	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18522 (6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a | 6-[(2R,5...) Show SMILES C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18524 (6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromet...) Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18685 ((2R)-3-{[4-(2-chloroacetamido)phenyl]sulfanyl}-N-[...) Show SMILES C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H17ClF3N3O3S/c1-19(30,11-31-15-6-4-13(5-7-15)26-17(28)9-21)18(29)27-14-3-2-12(10-25)16(8-14)20(22,23)24/h2-8,30H,9,11H2,1H3,(H,26,28)(H,27,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM26261 ((2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(tr...) Show SMILES C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.70	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM26261 ((2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(tr...) Show SMILES C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18173 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |r,wU:12.13,(.01,.36,;.81,1.67,;2.35,1.63,;3.09,.28,;3.16,2.94,;2.42,4.3,;.88,4.34,;.08,3.02,;-1.46,3.02,;-1.94,4.49,;-1.03,5.73,;-3.48,4.49,;-4.72,5.39,;-4.72,6.93,;-5.97,4.49,;-5.5,3.02,;-3.95,3.02,;-2.71,2.12,;-2.71,.58,;4.7,2.9,;6.24,2.9,)| Show InChI InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,19-20H,4-5H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM26259 ((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...) Show SMILES C[C@](O)(COc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F3N3O5/c1-17(26,10-29-14-6-4-13(5-7-14)24(27)28)16(25)23-12-3-2-11(9-22)15(8-12)18(19,20)21/h2-8,26H,10H2,1H3,(H,23,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	2.5	-45.6	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18665 ((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...) Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.98	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18665 ((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...) Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM18665 ((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...) Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM18675 ((2S)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methy...) Show SMILES CC(O)(COc1ccc([N-]C#[S+])cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F3N3O5S/c1-17(26,9-29-13-5-2-11(3-6-13)22-10-30)16(25)23-12-4-7-15(24(27)28)14(8-12)18(19,20)21/h2-8,26H,9H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.62	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18661 ((2R)-3-[(4-acetamidophenyl)sulfanyl]-2-hydroxy-2-m...) Show SMILES CC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H18F3N3O5S/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	-44.1	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18667 ((2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromet...) Show SMILES CCC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C20H19F3N2O6/c1-3-17(26)12-4-7-14(8-5-12)31-11-19(2,28)18(27)24-13-6-9-16(25(29)30)15(10-13)20(21,22)23/h4-10,28H,3,11H2,1-2H3,(H,24,27)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.07	-43.6	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18663 ((2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...) Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM18663 ((2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...) Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.10	-43.6	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM18663 ((2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...) Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.11	-43.6	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) Show SMILES C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18676 ((2S)-3-[(4-fluorophenyl)amino]-2-hydroxy-2-methyl-...) Show SMILES C[C@](O)(CNc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H15F4N3O4/c1-16(26,9-22-11-4-2-10(18)3-5-11)15(25)23-12-6-7-14(24(27)28)13(8-12)17(19,20)21/h2-8,22,26H,9H2,1H3,(H,23,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7.96	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18668 ((2S)-3-(4-chlorophenoxy)-2-hydroxy-2-methyl-N-[4-n...) Show SMILES C[C@](O)(COc1ccc(Cl)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14ClF3N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	9.56	-42.5	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18678 ((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	11	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM18669 ((2S)-3-(4-bromophenoxy)-2-hydroxy-2-methyl-N-[4-ni...) Show SMILES C[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14BrF3N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11.6	-42.1	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18672 ((2S)-2-hydroxy-3-(4-methoxyphenoxy)-2-methyl-N-[4-...) Show SMILES COc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C18H17F3N2O6/c1-17(25,10-29-13-6-4-12(28-2)5-7-13)16(24)22-11-3-8-15(23(26)27)14(9-11)18(19,20)21/h3-9,25H,10H2,1-2H3,(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13.7	-41.7	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50258752 (2-(4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroqui...) Show SMILES CN(C)C1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO Show InChI InChI=1S/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3	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	14.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18674 ((2S)-2-hydroxy-3-[4-(1H-indol-5-yl)phenoxy]-2-meth...) Show SMILES C[C@](O)(COc1ccc(cc1)-c1ccc2[nH]ccc2c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C25H20F3N3O5/c1-24(33,23(32)30-18-5-9-22(31(34)35)20(13-18)25(26,27)28)14-36-19-6-2-15(3-7-19)16-4-8-21-17(12-16)10-11-29-21/h2-13,29,33H,14H2,1H3,(H,30,32)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17.0	-41.2	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 5 [180-384] (Homo sapiens (Human))	BDBM50336799 (5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	-43.4	4.40E+4	n/a	n/a	n/a	n/a	n/a	25
Texas Wesleyan University					Assay Description For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...				BMC Biochem 16: 19 (2015) Article DOI: 10.1186/s12858-015-0048-3 BindingDB Entry DOI: 10.7270/Q26972FW
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18670 ((2S)-2-hydroxy-3-(4-iodophenoxy)-2-methyl-N-[4-nit...) Show SMILES C[C@](O)(COc1ccc(I)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14F3IN2O5/c1-16(25,9-28-12-5-2-10(21)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(18,19)20/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	30.0	-39.9	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18671 ((2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-[4-n...) Show SMILES Cc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C18H17F3N2O5/c1-11-3-6-13(7-4-11)28-10-17(2,25)16(24)22-12-5-8-15(23(26)27)14(9-12)18(19,20)21/h3-9,25H,10H2,1-2H3,(H,22,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	34.8	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18666 ((2S)-3-(4-acetylphenoxy)-2-hydroxy-2-methyl-N-[4-n...) Show SMILES CC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H17F3N2O6/c1-11(25)12-3-6-14(7-4-12)30-10-18(2,27)17(26)23-13-5-8-16(24(28)29)15(9-13)19(20,21)22/h3-9,27H,10H2,1-2H3,(H,23,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	36.6	-39.5	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18677 ((2S)-3-[(4-acetamidophenyl)amino]-2-hydroxy-2-meth...) Show SMILES CC(=O)Nc1ccc(NC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H19F3N4O5/c1-11(27)24-13-5-3-12(4-6-13)23-10-18(2,29)17(28)25-14-7-8-16(26(30)31)15(9-14)19(20,21)22/h3-9,23,29H,10H2,1-2H3,(H,24,27)(H,25,28)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	128	-36.6	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18664 ((2R)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...) Show SMILES C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	225	-35.3	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18673 (Nonsteroidal AR Ligand, S-14 | tert-butyl N-{4-[(2...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C22H24F3N3O7/c1-20(2,3)35-19(30)27-13-5-8-15(9-6-13)34-12-21(4,31)18(29)26-14-7-10-17(28(32)33)16(11-14)22(23,24)25/h5-11,31H,12H2,1-4H3,(H,26,29)(H,27,30)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	336	-34.3	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50241192 ((S)-3-methyl-5-trifluoromethyl-3,4-dihydro-2H-pyra...) Show SMILES C[C@]1(CC(N=N1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r,c:4| Show InChI InChI=1S/C14H10F6N4O/c1-12(5-10(23-24-12)14(18,19)20)11(25)22-8-3-2-7(6-21)9(4-8)13(15,16)17/h2-4,10H,5H2,1H3,(H,22,25)/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	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GTx, Inc. Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin)				J Med Chem 52: 3597-617 (2009) Article DOI: 10.1021/jm900280m BindingDB Entry DOI: 10.7270/Q2GH9HWD
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50345228 ((R)-3-(2-benzylphenylsulfonyl)-N-(4-cyano-3-(trifl...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H21F3N2O4S/c1-24(32,23(31)30-20-12-11-19(15-29)21(14-20)25(26,27)28)16-35(33,34)22-10-6-5-9-18(22)13-17-7-3-2-4-8-17/h2-12,14,32H,13,16H2,1H3,(H,30,31)/t24-/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Curated by ChEMBL					Assay Description Binding affinity to wild type androgen receptor by competitive binding assay				J Med Chem 54: 3973-6 (2011) Article DOI: 10.1021/jm2000097 BindingDB Entry DOI: 10.7270/Q23F4PZC
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50345227 ((R)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydrox...) Show SMILES C[C@](O)(CS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H17F3N2O4S/c1-21(29,13-32(30,31)19-8-4-6-14-5-2-3-7-17(14)19)20(28)27-16-10-9-15(12-26)18(11-16)22(23,24)25/h2-11,29H,13H2,1H3,(H,27,28)/t21-/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Curated by ChEMBL					Assay Description Binding affinity to wild type androgen receptor by competitive binding assay				J Med Chem 54: 3973-6 (2011) Article DOI: 10.1021/jm2000097 BindingDB Entry DOI: 10.7270/Q23F4PZC
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50345229 ((R)-3-(biphenyl-2-ylsulfonyl)-N-(4-cyano-3-(triflu...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H19F3N2O4S/c1-23(31,22(30)29-18-12-11-17(14-28)20(13-18)24(25,26)27)15-34(32,33)21-10-6-5-9-19(21)16-7-3-2-4-8-16/h2-13,31H,15H2,1H3,(H,29,30)/t23-/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Curated by ChEMBL					Assay Description Binding affinity to wild type androgen receptor by competitive binding assay				J Med Chem 54: 3973-6 (2011) Article DOI: 10.1021/jm2000097 BindingDB Entry DOI: 10.7270/Q23F4PZC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM231697 (RR601) Show SMILES Oc1cc(cc2c(cccc12)\N=N\c1cccc2c(O)cc(cc12)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C20H14N2O8S2/c23-19-9-11(31(25,26)27)7-15-13(19)3-1-5-17(15)21-22-18-6-2-4-14-16(18)8-12(10-20(14)24)32(28,29)30/h1-10,23-24H,(H,25,26,27)(H,28,29,30)/b22-21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.0	25
Concordia University of Wisconsin					Assay Description Assays with and without inhibitor were performed in Corning 96-well clear bottom plates having a nonbinding surface, with a total assay volume of 200...				BMC Biochem 18: 10 (2017) Article DOI: 10.1186/s12858-017-0083-3 BindingDB Entry DOI: 10.7270/Q2JW8CSF
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 5 (Homo sapiens (Human))	BDBM231694 (1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...) Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Concordia University of Wisconsin					Assay Description This assay was done with full-length protein (containing both domains), andusing pERK as substrate.				BMC Biochem 18: 10 (2017) Article DOI: 10.1186/s12858-017-0083-3 BindingDB Entry DOI: 10.7270/Q2JW8CSF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM231697 (RR601) Show SMILES Oc1cc(cc2c(cccc12)\N=N\c1cccc2c(O)cc(cc12)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C20H14N2O8S2/c23-19-9-11(31(25,26)27)7-15-13(19)3-1-5-17(15)21-22-18-6-2-4-14-16(18)8-12(10-20(14)24)32(28,29)30/h1-10,23-24H,(H,25,26,27)(H,28,29,30)/b22-21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.0	25
Concordia University of Wisconsin					Assay Description Assays with and without inhibitor were performed in Corning 96-well clear bottom plates having a nonbinding surface, with a total assay volume of 200...				BMC Biochem 18: 10 (2017) Article DOI: 10.1186/s12858-017-0083-3 BindingDB Entry DOI: 10.7270/Q2JW8CSF
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50345227 ((R)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydrox...) Show SMILES C[C@](O)(CS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H17F3N2O4S/c1-21(29,13-32(30,31)19-8-4-6-14-5-2-3-7-17(14)19)20(28)27-16-10-9-15(12-26)18(11-16)22(23,24)25/h2-11,29H,13H2,1H3,(H,27,28)/t21-/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	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Curated by ChEMBL					Assay Description Antagonist activity at wild type androgen receptor expressed in african green monkey CV1 cells assessed as inhibition of dihydrotestosterone-induced ...				J Med Chem 54: 3973-6 (2011) Article DOI: 10.1021/jm2000097 BindingDB Entry DOI: 10.7270/Q23F4PZC
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50345228 ((R)-3-(2-benzylphenylsulfonyl)-N-(4-cyano-3-(trifl...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H21F3N2O4S/c1-24(32,23(31)30-20-12-11-19(15-29)21(14-20)25(26,27)28)16-35(33,34)22-10-6-5-9-18(22)13-17-7-3-2-4-8-17/h2-12,14,32H,13,16H2,1H3,(H,30,31)/t24-/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	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Curated by ChEMBL					Assay Description Antagonist activity at wild type androgen receptor expressed in african green monkey CV1 cells assessed as inhibition of dihydrotestosterone-induced ...				J Med Chem 54: 3973-6 (2011) Article DOI: 10.1021/jm2000097 BindingDB Entry DOI: 10.7270/Q23F4PZC
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50345229 ((R)-3-(biphenyl-2-ylsulfonyl)-N-(4-cyano-3-(triflu...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H19F3N2O4S/c1-23(31,22(30)29-18-12-11-17(14-28)20(13-18)24(25,26)27)15-34(32,33)21-10-6-5-9-19(21)16-7-3-2-4-8-16/h2-13,31H,15H2,1H3,(H,29,30)/t23-/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	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Curated by ChEMBL					Assay Description Antagonist activity at wild type androgen receptor expressed in african green monkey CV1 cells assessed as inhibition of dihydrotestosterone-induced ...				J Med Chem 54: 3973-6 (2011) Article DOI: 10.1021/jm2000097 BindingDB Entry DOI: 10.7270/Q23F4PZC
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 5 (Homo sapiens (Human))	BDBM231694 (1-Amin-5-Naphthol-7-Sulfonic acid | NCI2602 | RR53...) Show SMILES Nc1cccc2c(O)cc(cc12)S(O)(=O)=O Show InChI InChI=1S/C10H9NO4S/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	7.5	25
Concordia University of Wisconsin					Assay Description Upon the addition of 4 μL of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentratio...				BMC Biochem 18: 10 (2017) Article DOI: 10.1186/s12858-017-0083-3 BindingDB Entry DOI: 10.7270/Q2JW8CSF
					More data for this Ligand-Target Pair

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