Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50026445   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM35909 (2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50252075 (4-(4-(pyrrolidin-1-yl)benzylidene)-3-(4-chlorophen...) Show SMILES Clc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8| Show InChI InChI=1S/C20H17ClN2O2/c21-16-7-5-15(6-8-16)19-18(20(24)25-22-19)13-14-3-9-17(10-4-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2/b18-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252176 (CHEMBL518945 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...) Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O3/c1-24-17-21(15-22(24)23(28)25-13-5-6-14-25)26(16-18-7-3-2-4-8-18)19-9-11-20(12-10-19)27(29)30/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3	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	440	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252024 (4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5...) Show SMILES CCN(CC)c1ccc(C=c2c(=C)[nH]oc2=O)cc1 |w:9.8| Show InChI InChI=1S/C15H18N2O2/c1-4-17(5-2)13-8-6-12(7-9-13)10-14-11(3)16-19-15(14)18/h6-10,16H,3-5H2,1-2H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252276 (CHEMBL480955 | N-{4-[(Benzyl)(4-cyanophenyl)amino]...) Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H24N4O/c1-26-18-22(15-23(26)24(29)27-13-5-6-14-27)28(17-20-7-3-2-4-8-20)21-11-9-19(16-25)10-12-21/h2-4,7-12,15,18H,5-6,13-14,17H2,1H3	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	610	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252175 (CHEMBL519780 | N-[4-[(Cyclohexylmethyl)(4-nitrophe...) Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(CC1CCCCC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H30N4O3/c1-24-17-21(15-22(24)23(28)25-13-5-6-14-25)26(16-18-7-3-2-4-8-18)19-9-11-20(12-10-19)27(29)30/h9-12,15,17-18H,2-8,13-14,16H2,1H3	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	880	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252330 (CHEMBL521251 | Ethyl 4-[(benzyl)(4-nitrophenyl)ami...) Show SMILES CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H21N3O4/c1-3-28-21(25)20-13-19(15-22(20)2)23(14-16-7-5-4-6-8-16)17-9-11-18(12-10-17)24(26)27/h4-13,15H,3,14H2,1-2H3	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	950	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252385 (CHEMBL481139 | N,N-Diethyl 4-[(4-nitrophenyl)(benz...) Show SMILES CCN(CC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H26N4O3/c1-4-25(5-2)23(28)22-15-21(17-24(22)3)26(16-18-9-7-6-8-10-18)19-11-13-20(14-12-19)27(29)30/h6-15,17H,4-5,16H2,1-3H3	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	990	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252449 (CHEMBL503676 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...) Show SMILES Cn1cc(cc1C(=O)N1CCc2ccccc12)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C27H24N4O3/c1-28-19-24(17-26(28)27(32)29-16-15-21-9-5-6-10-25(21)29)30(18-20-7-3-2-4-8-20)22-11-13-23(14-12-22)31(33)34/h2-14,17,19H,15-16,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252387 (CHEMBL520428 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...) Show SMILES Cn1cc(cc1C(=O)N1CCCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H26N4O3/c1-25-18-22(16-23(25)24(29)26-14-6-3-7-15-26)27(17-19-8-4-2-5-9-19)20-10-12-21(13-11-20)28(30)31/h2,4-5,8-13,16,18H,3,6-7,14-15,17H2,1H3	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252277 (CHEMBL521249 | N-{4-[(Benzyl)(4-trifluoromethylphe...) Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O/c1-28-17-21(15-22(28)23(31)29-13-5-6-14-29)30(16-18-7-3-2-4-8-18)20-11-9-19(10-12-20)24(25,26)27/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252384 (4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2...) Show SMILES Cn1cc(cc1C(N)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H18N4O3/c1-21-13-17(11-18(21)19(20)24)22(12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)23(25)26/h2-11,13H,12H2,1H3,(H2,20,24)	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	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252328 (CHEMBL479988 | N-{4-[(4-Acetylphenyl)(benzyl)amino...) Show SMILES CC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1 Show InChI InChI=1S/C25H27N3O2/c1-19(29)21-10-12-22(13-11-21)28(17-20-8-4-3-5-9-20)23-16-24(26(2)18-23)25(30)27-14-6-7-15-27/h3-5,8-13,16,18H,6-7,14-15,17H2,1-2H3	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252331 (4-[(Benzyl)(4-nitrophenyl)amino]-2-hydroxymethyl-1...) Show SMILES Cn1cc(cc1CO)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H19N3O3/c1-20-13-18(11-19(20)14-23)21(12-15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(24)25/h2-11,13,23H,12,14H2,1H3	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252275 (CHEMBL481924 | N-[4-[(Benzyl)(4-nitro-3-trifluorom...) Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C24H23F3N4O3/c1-28-16-19(14-22(28)23(32)29-11-5-6-12-29)30(15-17-7-3-2-4-8-17)18-9-10-21(31(33)34)20(13-18)24(25,26)27/h2-4,7-10,13-14,16H,5-6,11-12,15H2,1H3	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252450 (CHEMBL482063 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...) Show SMILES [O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H23N3O3/c28-24(25-16-4-5-17-25)20-8-10-21(11-9-20)26(18-19-6-2-1-3-7-19)22-12-14-23(15-13-22)27(29)30/h1-3,6-15H,4-5,16-18H2	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252177 (CHEMBL481107 | N-[4-[(4-Fluorobenzyl)(4-nitropheny...) Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H23FN4O3/c1-25-16-21(14-22(25)23(29)26-12-2-3-13-26)27(15-17-4-6-18(24)7-5-17)19-8-10-20(11-9-19)28(30)31/h4-11,14,16H,2-3,12-13,15H2,1H3	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50131270 (2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...) Show SMILES CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252215 (CHEMBL481939 | N-[4-[(4-Methylbenzyl)(4-nitropheny...) Show SMILES Cc1ccc(CN(c2cc(C(=O)N3CCCC3)n(C)c2)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C24H26N4O3/c1-18-5-7-19(8-6-18)16-27(20-9-11-21(12-10-20)28(30)31)22-15-23(25(2)17-22)24(29)26-13-3-4-14-26/h5-12,15,17H,3-4,13-14,16H2,1-2H3	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	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252216 (CHEMBL480934 | N-[4-[(4-Hydroxybenzyl)(4-nitrophen...) Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(O)cc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O4/c1-24-16-20(14-22(24)23(29)25-12-2-3-13-25)26(15-17-4-10-21(28)11-5-17)18-6-8-19(9-7-18)27(30)31/h4-11,14,16,28H,2-3,12-13,15H2,1H3	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252451 (CHEMBL482064 | N-[3-[(Benzyl)(4-nitrophenyl)amino]...) Show SMILES [O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1cccc(c1)C(=O)N1CCCC1 Show InChI InChI=1S/C24H23N3O3/c28-24(25-15-4-5-16-25)20-9-6-10-23(17-20)26(18-19-7-2-1-3-8-19)21-11-13-22(14-12-21)27(29)30/h1-3,6-14,17H,4-5,15-16,18H2	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252218 (CHEMBL481746 | N-[4-[(4-Hydroxymethylbenzyl)(4-nit...) Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(CO)cc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H26N4O4/c1-25-16-22(14-23(25)24(30)26-12-2-3-13-26)27(15-18-4-6-19(17-29)7-5-18)20-8-10-21(11-9-20)28(31)32/h4-11,14,16,29H,2-3,12-13,15,17H2,1H3	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252126 (CHEMBL481686 | N-[4-[(3,5-Dimethylphenyl)(4-hydrox...) Show SMILES Cc1cc(C)cc(c1)N(Cc1ccc(CO)cc1)c1cc(C(=O)N2CCCC2)n(C)c1 Show InChI InChI=1S/C26H31N3O2/c1-19-12-20(2)14-23(13-19)29(16-21-6-8-22(18-30)9-7-21)24-15-25(27(3)17-24)26(31)28-10-4-5-11-28/h6-9,12-15,17,30H,4-5,10-11,16,18H2,1-3H3	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	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252386 (CHEMBL481302 | N,N-Di-n-butyl-4-[(benzyl)(4-nitrop...) Show SMILES CCCCN(CCCC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C27H34N4O3/c1-4-6-17-29(18-7-5-2)27(32)26-19-25(21-28(26)3)30(20-22-11-9-8-10-12-22)23-13-15-24(16-14-23)31(33)34/h8-16,19,21H,4-7,17-18,20H2,1-3H3	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252329 (CHEMBL480959 | N-{4-[(Benzyl)(4-methoxycarbonylphe...) Show SMILES COC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1 Show InChI InChI=1S/C25H27N3O3/c1-26-18-22(16-23(26)24(29)27-14-6-7-15-27)28(17-19-8-4-3-5-9-19)21-12-10-20(11-13-21)25(30)31-2/h3-5,8-13,16,18H,6-7,14-15,17H2,1-2H3	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252332 (4-[(Benzyl)(4-nitrophenyl)amino]-1-methylpyrrole-2...) Show SMILES Cn1cc(cc1C(O)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H17N3O4/c1-20-13-17(11-18(20)19(23)24)21(12-14-5-3-2-4-6-14)15-7-9-16(10-8-15)22(25)26/h2-11,13H,12H2,1H3,(H,23,24)	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252125 (CHEMBL481515 | N-[4-[(3,5-Dimethylphenyl)(4-hydrox...) Show SMILES Cc1cc(C)cc(c1)N(Cc1ccc(O)cc1)c1cc(C(=O)N2CCCC2)n(C)c1 Show InChI InChI=1S/C25H29N3O2/c1-18-12-19(2)14-21(13-18)28(16-20-6-8-23(29)9-7-20)22-15-24(26(3)17-22)25(30)27-10-4-5-11-27/h6-9,12-15,17,29H,4-5,10-11,16H2,1-3H3	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	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252080 (CHEMBL516752 | N-[4-[(3,5-Dimethylphenyl)(iso-prop...) Show SMILES CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1 Show InChI InChI=1S/C21H29N3O/c1-15(2)24(18-11-16(3)10-17(4)12-18)19-13-20(22(5)14-19)21(25)23-8-6-7-9-23/h10-15H,6-9H2,1-5H3	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252217 ((3S,4S)-N-[4-[(Benzyl)(4-nitrophenyl)amino]-1-meth...) Show SMILES Cn1cc(cc1C(=O)N1C[C@H](O)[C@@H](O)C1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C23H24N4O5/c1-24-13-19(11-20(24)23(30)25-14-21(28)22(29)15-25)26(12-16-5-3-2-4-6-16)17-7-9-18(10-8-17)27(31)32/h2-11,13,21-22,28-29H,12,14-15H2,1H3/t21-,22-/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	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252174 (CHEMBL481356 | N-[4-[(4-Nitrophenyl)(iso-propyl)am...) Show SMILES CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H24N4O3/c1-14(2)22(15-6-8-16(9-7-15)23(25)26)17-12-18(20(3)13-17)19(24)21-10-4-5-11-21/h6-9,12-14H,4-5,10-11H2,1-3H3	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	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252077 ((1-methyl-4-(4-nitrophenylamino)-1H-pyrrol-2-yl)(p...) Show SMILES Cn1cc(Nc2ccc(cc2)[N+]([O-])=O)cc1C(=O)N1CCCC1 Show InChI InChI=1S/C16H18N4O3/c1-18-11-13(10-15(18)16(21)19-8-2-3-9-19)17-12-4-6-14(7-5-12)20(22)23/h4-7,10-11,17H,2-3,8-9H2,1H3	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	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252076 ((4-(3,5-dimethylphenylamino)-1-methyl-1H-pyrrol-2-...) Show SMILES Cc1cc(C)cc(Nc2cc(C(=O)N3CCCC3)n(C)c2)c1 Show InChI InChI=1S/C18H23N3O/c1-13-8-14(2)10-15(9-13)19-16-11-17(20(3)12-16)18(22)21-6-4-5-7-21/h8-12,19H,4-7H2,1-3H3	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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252173 (CHEMBL481355 | N-[4-[(Ethyl)(4-nitrophenyl)amino]-...) Show SMILES CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H22N4O3/c1-3-21(14-6-8-15(9-7-14)22(24)25)16-12-17(19(2)13-16)18(23)20-10-4-5-11-20/h6-9,12-13H,3-5,10-11H2,1-2H3	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	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252079 (CHEMBL481152 | N-[4-[(3,5-Dimethylphenyl)(ethyl)am...) Show SMILES CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1 Show InChI InChI=1S/C20H27N3O/c1-5-23(17-11-15(2)10-16(3)12-17)18-13-19(21(4)14-18)20(24)22-8-6-7-9-22/h10-14H,5-9H2,1-4H3	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	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252078 (CHEMBL480183 | N-[4-[(3,5-Dimethylphenyl)(methyl)a...) Show SMILES CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1 Show InChI InChI=1S/C19H25N3O/c1-14-9-15(2)11-16(10-14)21(4)17-12-18(20(3)13-17)19(23)22-7-5-6-8-22/h9-13H,5-8H2,1-4H3	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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50252127 (CHEMBL481350 | N-[4-[(Methyl)(4-nitrophenyl)amino]...) Show SMILES CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H20N4O3/c1-18-12-15(11-16(18)17(22)20-9-3-4-10-20)19(2)13-5-7-14(8-6-13)21(23)24/h5-8,11-12H,3-4,9-10H2,1-2H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen...				Bioorg Med Chem 16: 6799-812 (2008) Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV
					More data for this Ligand-Target Pair