Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50021096   

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))	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50220941 (5-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:28| Show InChI InChI=1S/C35H50O5/c1-33-18-15-27(36)23-26(33)22-25(32-29(33)16-19-34(2)30(32)17-20-35(34,3)39)9-5-4-8-24-11-13-28(14-12-24)40-21-7-6-10-31(37)38/h11-14,23,25,29-30,32,39H,4-10,15-22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/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	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220939 (6-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:29| Show InChI InChI=1S/C36H52O5/c1-34-18-15-28(37)24-27(34)23-26(33-30(34)16-19-35(2)31(33)17-20-36(35,3)40)12-7-6-10-25-11-9-13-29(22-25)41-21-8-4-5-14-32(38)39/h9,11,13,22,24,26,30-31,33,40H,4-8,10,12,14-21,23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/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	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18525 (Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...) Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50220934 (3-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:25| Show InChI InChI=1S/C32H44O5/c1-30-15-11-24(33)20-23(30)19-22(29-26(30)12-16-31(2)27(29)13-17-32(31,3)36)6-4-5-21-7-9-25(10-8-21)37-18-14-28(34)35/h7-10,20,22,26-27,29,36H,4-6,11-19H2,1-3H3,(H,34,35)/t22-,26+,27+,29-,30+,31+,32+/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	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220937 (8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...) Show SMILES CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20-,21+,23+,24+,25+,27+,28+,29+/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	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18525 (Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...) Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50220941 (5-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:28| Show InChI InChI=1S/C35H50O5/c1-33-18-15-27(36)23-26(33)22-25(32-29(33)16-19-34(2)30(32)17-20-35(34,3)39)9-5-4-8-24-11-13-28(14-12-24)40-21-7-6-10-31(37)38/h11-14,23,25,29-30,32,39H,4-10,15-22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/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	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220937 (8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...) Show SMILES CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C29H49NO3/c1-28-16-14-22(31)19-21(28)18-20(10-8-6-5-7-9-11-26(33)30(3)4)27-23-12-13-25(32)29(23,2)17-15-24(27)28/h20-21,23-25,27,32H,5-19H2,1-4H3/t20-,21+,23+,24+,25+,27+,28+,29+/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	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220934 (3-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:25| Show InChI InChI=1S/C32H44O5/c1-30-15-11-24(33)20-23(30)19-22(29-26(30)12-16-31(2)27(29)13-17-32(31,3)36)6-4-5-21-7-9-25(10-8-21)37-18-14-28(34)35/h7-10,20,22,26-27,29,36H,4-6,11-19H2,1-3H3,(H,34,35)/t22-,26+,27+,29-,30+,31+,32+/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	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220936 (5-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27| Show InChI InChI=1S/C34H48O5/c1-32-17-14-26(35)22-25(32)21-24(31-28(32)15-18-33(2)29(31)16-19-34(33,3)38)8-6-7-23-10-12-27(13-11-23)39-20-5-4-9-30(36)37/h10-13,22,24,28-29,31,38H,4-9,14-21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/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	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220945 (5-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:28| Show InChI InChI=1S/C35H50O5/c1-33-17-14-27(36)23-26(33)22-25(32-29(33)15-18-34(2)30(32)16-19-35(34,3)39)11-5-4-9-24-10-8-12-28(21-24)40-20-7-6-13-31(37)38/h8,10,12,21,23,25,29-30,32,39H,4-7,9,11,13-20,22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/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	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220945 (5-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:28| Show InChI InChI=1S/C35H50O5/c1-33-17-14-27(36)23-26(33)22-25(32-29(33)15-18-34(2)30(32)16-19-35(34,3)39)11-5-4-9-24-10-8-12-28(21-24)40-20-7-6-13-31(37)38/h8,10,12,21,23,25,29-30,32,39H,4-7,9,11,13-20,22H2,1-3H3,(H,37,38)/t25-,29+,30+,32-,33+,34+,35+/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	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220940 (10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C Show InChI InChI=1S/C29H48O4/c1-28-16-14-22(30)19-21(28)18-20(10-8-6-4-3-5-7-9-11-26(32)33)27-23-12-13-25(31)29(23,2)17-15-24(27)28/h20-21,23-25,27,31H,3-19H2,1-2H3,(H,32,33)/t20-,21+,23+,24+,25+,27+,28+,29+/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	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220933 (10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(O)=O)C[C@H]1CC(=O)CC[C@]31C |w:20.21| Show InChI InChI=1S/C34H53F5O4/c1-31-18-15-25(40)21-24(31)20-23(29-26-13-14-28(41)32(26,2)19-16-27(29)31)11-8-6-4-3-5-7-10-22(30(42)43)12-9-17-33(35,36)34(37,38)39/h22-24,26-29,41H,3-21H2,1-2H3,(H,42,43)/t22?,23-,24+,26+,27+,28+,29+,31+,32+/m1/s1	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	410	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220947 (6-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:29| Show InChI InChI=1S/C36H52O5/c1-34-19-16-28(37)24-27(34)23-26(33-30(34)17-20-35(2)31(33)18-21-36(35,3)40)10-7-6-9-25-12-14-29(15-13-25)41-22-8-4-5-11-32(38)39/h12-15,24,26,30-31,33,40H,4-11,16-23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/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	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220943 (4-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:26| Show InChI InChI=1S/C33H46O5/c1-31-16-13-25(34)21-24(31)20-23(30-27(31)14-17-32(2)28(30)15-18-33(32,3)37)7-4-6-22-9-11-26(12-10-22)38-19-5-8-29(35)36/h9-12,21,23,27-28,30,37H,4-8,13-20H2,1-3H3,(H,35,36)/t23-,27+,28+,30-,31+,32+,33+/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	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220939 (6-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:29| Show InChI InChI=1S/C36H52O5/c1-34-18-15-28(37)24-27(34)23-26(33-30(34)16-19-35(2)31(33)17-20-36(35,3)40)12-7-6-10-25-11-9-13-29(22-25)41-21-8-4-5-14-32(38)39/h9,11,13,22,24,26,30-31,33,40H,4-8,10,12,14-21,23H2,1-3H3,(H,38,39)/t26-,30+,31+,33-,34+,35+,36+/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	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220944 (10-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCCCCCCC(O)=O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:21| Show InChI InChI=1S/C30H48O4/c1-28-16-13-23(31)20-22(28)19-21(11-9-7-5-4-6-8-10-12-26(32)33)27-24(28)14-17-29(2)25(27)15-18-30(29,3)34/h20-21,24-25,27,34H,4-19H2,1-3H3,(H,32,33)/t21-,24+,25+,27-,28+,29+,30+/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	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220938 (8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C Show InChI InChI=1S/C27H44O4/c1-26-14-12-20(28)17-19(26)16-18(8-6-4-3-5-7-9-24(30)31)25-21-10-11-23(29)27(21,2)15-13-22(25)26/h18-19,21-23,25,29H,3-17H2,1-2H3,(H,30,31)/t18-,19+,21+,22+,23+,25+,26+,27+/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	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220936 (5-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27| Show InChI InChI=1S/C34H48O5/c1-32-17-14-26(35)22-25(32)21-24(31-28(32)15-18-33(2)29(31)16-19-34(33,3)38)8-6-7-23-10-12-27(13-11-23)39-20-5-4-9-30(36)37/h10-13,22,24,28-29,31,38H,4-9,14-21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/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	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220943 (4-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:26| Show InChI InChI=1S/C33H46O5/c1-31-16-13-25(34)21-24(31)20-23(30-27(31)14-17-32(2)28(30)15-18-33(32,3)37)7-4-6-22-9-11-26(12-10-22)38-19-5-8-29(35)36/h9-12,21,23,27-28,30,37H,4-8,13-20H2,1-3H3,(H,35,36)/t23-,27+,28+,30-,31+,32+,33+/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	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220935 (4-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27| Show InChI InChI=1S/C34H48O5/c1-32-16-13-26(35)22-25(32)21-24(31-28(32)14-17-33(2)29(31)15-18-34(33,3)38)10-5-4-8-23-9-6-11-27(20-23)39-19-7-12-30(36)37/h6,9,11,20,22,24,28-29,31,38H,4-5,7-8,10,12-19,21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/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	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220938 (8-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C Show InChI InChI=1S/C27H44O4/c1-26-14-12-20(28)17-19(26)16-18(8-6-4-3-5-7-9-24(30)31)25-21-10-11-23(29)27(21,2)15-13-22(25)26/h18-19,21-23,25,29H,3-17H2,1-2H3,(H,30,31)/t18-,19+,21+,22+,23+,25+,26+,27+/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	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220942 (4-(4-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27| Show InChI InChI=1S/C34H48O5/c1-32-17-14-26(35)22-25(32)21-24(31-28(32)15-18-33(2)29(31)16-19-34(33,3)38)8-5-4-7-23-10-12-27(13-11-23)39-20-6-9-30(36)37/h10-13,22,24,28-29,31,38H,4-9,14-21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/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	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220940 (10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C Show InChI InChI=1S/C29H48O4/c1-28-16-14-22(30)19-21(28)18-20(10-8-6-4-3-5-7-9-11-26(32)33)27-23-12-13-25(31)29(23,2)17-15-24(27)28/h20-21,23-25,27,31H,3-19H2,1-2H3,(H,32,33)/t20-,21+,23+,24+,25+,27+,28+,29+/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	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220935 (4-(3-(4-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27| Show InChI InChI=1S/C34H48O5/c1-32-16-13-26(35)22-25(32)21-24(31-28(32)14-17-33(2)29(31)15-18-34(33,3)38)10-5-4-8-23-9-6-11-27(20-23)39-19-7-12-30(36)37/h6,9,11,20,22,24,28-29,31,38H,4-5,7-8,10,12-19,21H2,1-3H3,(H,36,37)/t24-,28+,29+,31-,32+,33+,34+/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	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220944 (10-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCCCCCCC(O)=O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:21| Show InChI InChI=1S/C30H48O4/c1-28-16-13-23(31)20-22(28)19-21(11-9-7-5-4-6-8-10-12-26(32)33)27-24(28)14-17-29(2)25(27)15-18-30(29,3)34/h20-21,24-25,27,34H,4-19H2,1-3H3,(H,32,33)/t21-,24+,25+,27-,28+,29+,30+/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	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220946 (4-(3-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,...) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:26| Show InChI InChI=1S/C33H46O5/c1-31-15-12-25(34)21-24(31)20-23(30-27(31)13-16-32(2)28(30)14-17-33(32,3)37)9-4-7-22-8-5-10-26(19-22)38-18-6-11-29(35)36/h5,8,10,19,21,23,27-28,30,37H,4,6-7,9,11-18,20H2,1-3H3,(H,35,36)/t23-,27+,28+,30-,31+,32+,33+/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	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220933 (10-((5S,7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(O)=O)C[C@H]1CC(=O)CC[C@]31C |w:20.21| Show InChI InChI=1S/C34H53F5O4/c1-31-18-15-25(40)21-24(31)20-23(29-26-13-14-28(41)32(26,2)19-16-27(29)31)11-8-6-4-3-5-7-10-22(30(42)43)12-9-17-33(35,36)34(37,38)39/h22-24,26-29,41H,3-21H2,1-2H3,(H,42,43)/t22?,23-,24+,26+,27+,28+,29+,31+,32+/m1/s1	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity...				Bioorg Med Chem Lett 17: 5573-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.090 BindingDB Entry DOI: 10.7270/Q29S1QQT
					More data for this Ligand-Target Pair