Compile Data Set for Download or QSAR

Found 340 hits with Last Name = 'hwang' and Initial = 'dj'   

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 (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	0.430	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					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 (Rattus norvegicus (Rat))	BDBM18681 ((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...) Show SMILES C[C@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F3N3O2S2/c1-18(27,10-29-15-6-4-13(5-7-15)24-11-28)17(26)25-14-3-2-12(9-23)16(8-14)19(20,21)22/h2-8,27H,10H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	-48.9	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
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))	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))	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))	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 (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 (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))	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 (Homo sapiens (Human))	BDBM50529668 (Enobosarm | Gtx-024 | MK-2866 | Ostarine | US10806...) Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50529668 (Enobosarm | Gtx-024 | MK-2866 | Ostarine | US10806...) Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					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 (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))	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	4.60	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					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))	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 (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))	BDBM19242 ((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fl...) Show SMILES C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H13F4N3O3S/c1-18(28,9-29-13-4-5-16(25-10-30)15(20)7-13)17(27)26-12-3-2-11(8-24)14(6-12)19(21,22)23/h2-7,28H,9H2,1H3,(H,26,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.30	-43.5	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
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))	BDBM19240 ((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...) Show SMILES C[C@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F3N3O3S/c1-18(27,10-28-15-6-4-13(5-7-15)24-11-29)17(26)25-14-3-2-12(9-23)16(8-14)19(20,21)22/h2-8,27H,10H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.10	-42.9	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19244 ((2S)-3-(3-chloro-4-isothiocyanatophenoxy)-N-[4-cya...) Show SMILES C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H13ClF3N3O3S/c1-18(28,9-29-13-4-5-16(25-10-30)15(20)7-13)17(27)26-12-3-2-11(8-24)14(6-12)19(21,22)23/h2-7,28H,9H2,1H3,(H,26,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60	-42.8	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					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
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-MIB from wild-type rat AR LBD measured after 16 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00943 BindingDB Entry DOI: 10.7270/Q2DV1PHB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19243 ((2S)-3-(3-chloro-4-isothiocyanatophenoxy)-2-hydrox...) Show SMILES C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C18H13ClF3N3O5S/c1-17(27,8-30-11-3-4-14(23-9-31)13(19)7-11)16(26)24-10-2-5-15(25(28)29)12(6-10)18(20,21)22/h2-7,27H,8H2,1H3,(H,24,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11.9	-42.0	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19241 ((2S)-3-(3-fluoro-4-isothiocyanatophenoxy)-2-hydrox...) Show SMILES C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C18H13F4N3O5S/c1-17(27,8-30-11-3-4-14(23-9-31)13(19)7-11)16(26)24-10-2-5-15(25(28)29)12(6-10)18(20,21)22/h2-7,27H,8H2,1H3,(H,24,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.6	-41.9	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19251 ((2R)-2-hydroxy-3-[(4-isothiocyanatobenzene)sulfony...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C18H14F3N3O6S2/c1-17(26,9-32(29,30)13-5-2-11(3-6-13)22-10-31)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)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14.4	-41.6	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					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))	BDBM19248 ((2S)-2-hydroxy-3-[(4-isothiocyanatophenyl)amino]-2...) Show SMILES C[C@](O)(CNc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C18H15F3N4O4S/c1-17(27,9-22-11-2-4-12(5-3-11)23-10-30)16(26)24-13-6-7-15(25(28)29)14(8-13)18(19,20)21/h2-8,22,27H,9H2,1H3,(H,24,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21.4	-40.7	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19246 ((2S)-3-(2-chloro-4-isothiocyanatophenoxy)-2-hydrox...) Show SMILES C[C@](O)(COc1ccc(cc1Cl)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C18H13ClF3N3O5S/c1-17(27,8-30-15-5-3-10(23-9-31)7-13(15)19)16(26)24-11-2-4-14(25(28)29)12(6-11)18(20,21)22/h2-7,27H,8H2,1H3,(H,24,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31.1	-39.8	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19247 (2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4...) Show SMILES CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C19H16F3N3O4S/c1-18(27,9-8-12-2-4-13(5-3-12)23-11-30)17(26)24-14-6-7-16(25(28)29)15(10-14)19(20,21)22/h2-7,10,27H,8-9H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31.8	-39.8	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19245 ((2S)-3-(2-fluoro-4-isothiocyanatophenoxy)-2-hydrox...) Show SMILES C[C@](O)(COc1ccc(cc1F)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C18H13F4N3O5S/c1-17(27,8-30-15-5-3-10(23-9-31)7-13(15)19)16(26)24-11-2-4-14(25(28)29)12(6-11)18(20,21)22/h2-7,27H,8H2,1H3,(H,24,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34.6	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19239 ((2R)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methy...) Show SMILES C[C@@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| 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)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	36.2	-39.5	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18683 ((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F3N3O4S2/c1-18(27,10-31(28,29)15-6-4-13(5-7-15)24-11-30)17(26)25-14-3-2-12(9-23)16(8-14)19(20,21)22/h2-8,27H,10H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	-39.2	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19249 ((2S)-2-hydroxy-3-[(4-isothiocyanatophenyl)(methyl)...) Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)c1ccc(cc1)N=C=S |r| Show InChI InChI=1S/C19H17F3N4O4S/c1-18(28,10-25(2)14-6-3-12(4-7-14)23-11-31)17(27)24-13-5-8-16(26(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(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	41.2	-39.2	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529654 (CHEMBL4554646) Show SMILES C[C@](O)(Cn1ccc2ccc(cc12)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H15F3N4O4/c1-19(29,11-26-7-6-12-3-5-15(27(30)31)9-17(12)26)18(28)25-14-4-2-13(10-24)16(8-14)20(21,22)23/h2-9,29H,11H2,1H3,(H,25,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529654 (CHEMBL4554646) Show SMILES C[C@](O)(Cn1ccc2ccc(cc12)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H15F3N4O4/c1-19(29,11-26-7-6-12-3-5-15(27(30)31)9-17(12)26)18(28)25-14-4-2-13(10-24)16(8-14)20(21,22)23/h2-9,29H,11H2,1H3,(H,25,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19250 ((2R)-2-hydroxy-3-[(4-isothiocyanatophenyl)sulfanyl...) Show SMILES C[C@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C18H14F3N3O4S2/c1-17(26,9-30-13-5-2-11(3-6-13)22-10-29)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)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	54.8	-38.5	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529659 (CHEMBL4475563) Show SMILES C[C@](O)(Cn1ccc2c(F)cc(cc12)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H18F5N3O2/c1-25(36,24(35)33-19-7-4-16(13-32)21(12-19)26(29,30)31)14-34-9-8-20-22(28)10-17(11-23(20)34)15-2-5-18(27)6-3-15/h2-12,36H,14H2,1H3,(H,33,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529659 (CHEMBL4475563) Show SMILES C[C@](O)(Cn1ccc2c(F)cc(cc12)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H18F5N3O2/c1-25(36,24(35)33-19-7-4-16(13-32)21(12-19)26(29,30)31)14-34-9-8-20-22(28)10-17(11-23(20)34)15-2-5-18(27)6-3-15/h2-12,36H,14H2,1H3,(H,33,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529672 (CHEMBL4530573) Show SMILES C[C@](O)(CN1CCc2cc(Cl)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H16ClF4N3O2/c1-19(30,10-28-5-4-11-6-15(21)16(22)8-17(11)28)18(29)27-13-3-2-12(9-26)14(7-13)20(23,24)25/h2-3,6-8,30H,4-5,10H2,1H3,(H,27,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529672 (CHEMBL4530573) Show SMILES C[C@](O)(CN1CCc2cc(Cl)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H16ClF4N3O2/c1-19(30,10-28-5-4-11-6-15(21)16(22)8-17(11)28)18(29)27-13-3-2-12(9-26)14(7-13)20(23,24)25/h2-3,6-8,30H,4-5,10H2,1H3,(H,27,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529676 (CHEMBL4539953) Show SMILES C[C@](O)(CN1CCc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C25H21ClFN3O2/c1-25(32,24(31)29-19-8-7-18(14-28)21(26)12-19)15-30-10-9-17-11-22(27)20(13-23(17)30)16-5-3-2-4-6-16/h2-8,11-13,32H,9-10,15H2,1H3,(H,29,31)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a...				J Med Chem 62: 491-511 (2019) Article DOI: 10.1021/acs.jmedchem.8b00973 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair

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