Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50037866   

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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50197363 (CHEMBL389277 | N,N-dimethyl-8-(17b-hydroxy-5a-andr...) Show SMILES CN(C)C(=O)CCCCCCCC1C[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-/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	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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197366 (CHEMBL225147 | N,N-dimethyl-7-(17b-hydroxy-5a-andr...) Show SMILES CN(C)C(=O)CCCCCCC1C[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/C28H47NO3/c1-27-15-13-21(30)18-20(27)17-19(9-7-5-6-8-10-25(32)29(3)4)26-22-11-12-24(31)28(22,2)16-14-23(26)27/h19-20,22-24,26,31H,5-18H2,1-4H3/t19?,20-,22-,23-,24-,26-,27-,28-/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197372 (8-(17b-hydroxy-5a-androstan-3-one-7a-yl)-1-(pyrrol...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCC1)C[C@H]1CC(=O)CC[C@]31C Show InChI InChI=1S/C31H51NO3/c1-30-16-14-24(33)21-23(30)20-22(29-25-12-13-27(34)31(25,2)17-15-26(29)30)10-6-4-3-5-7-11-28(35)32-18-8-9-19-32/h22-23,25-27,29,34H,3-21H2,1-2H3/t22?,23-,25-,26-,27-,29-,30-,31-/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	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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197376 (CHEMBL224352 | N,N-diethyl-8-(17b-hydroxy-5a-andro...) Show SMILES CCN(CC)C(=O)CCCCCCCC1C[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/C31H53NO3/c1-5-32(6-2)28(35)13-11-9-7-8-10-12-22-20-23-21-24(33)16-18-30(23,3)26-17-19-31(4)25(29(22)26)14-15-27(31)34/h22-23,25-27,29,34H,5-21H2,1-4H3/t22?,23-,25-,26-,27-,29-,30-,31-/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	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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197385 (CHEMBL224770 | N-n-butyl-N-methyl-8-(17b-hydroxy-5...) Show SMILES CCCCN(C)C(=O)CCCCCCCC1C[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/C32H55NO3/c1-5-6-20-33(4)29(36)13-11-9-7-8-10-12-23-21-24-22-25(34)16-18-31(24,2)27-17-19-32(3)26(30(23)27)14-15-28(32)35/h23-24,26-28,30,35H,5-22H2,1-4H3/t23?,24-,26-,27-,28-,30-,31-,32-/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	340	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197368 (CHEMBL223813 | N-n-Butyl-N-methyl-8-(17b-hydroxy-5...) Show SMILES CCCCN(C)C(=O)CCCCCCC[C@@H]1CC2CC(=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/C32H55NO3/c1-5-6-20-33(4)29(36)13-11-9-7-8-10-12-23-21-24-22-25(34)16-18-31(24,2)27-17-19-32(3)26(30(23)27)14-15-28(32)35/h23-24,26-28,30,35H,5-22H2,1-4H3/t23-,24?,26+,27+,28+,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	340	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197380 (CHEMBL224414 | N-isopropyl-N-methyl-8-(17b-hydroxy...) Show SMILES CC(C)N(C)C(=O)CCCCCCCC1C[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/C31H53NO3/c1-21(2)32(5)28(35)12-10-8-6-7-9-11-22-19-23-20-24(33)15-17-30(23,3)26-16-18-31(4)25(29(22)26)13-14-27(31)34/h21-23,25-27,29,34H,6-20H2,1-5H3/t22?,23-,25-,26-,27-,29-,30-,31-/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	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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197360 (CHEMBL390071 | N-methyl-N-ethyl-8-(17b-hydroxy-5a-...) Show SMILES CCN(C)C(=O)CCCCCCCC1C[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/C30H51NO3/c1-5-31(4)27(34)12-10-8-6-7-9-11-21-19-22-20-23(32)15-17-29(22,2)25-16-18-30(3)24(28(21)25)13-14-26(30)33/h21-22,24-26,28,33H,5-20H2,1-4H3/t21?,22-,24-,25-,26-,28-,29-,30-/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	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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197381 (8-(17b-hydroxy-5a-androstan-3-one-7a-yl)octanamide...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(N)=O)C[C@H]1CC(=O)CC[C@]31C Show InChI InChI=1S/C27H45NO3/c1-26-14-12-20(29)17-19(26)16-18(8-6-4-3-5-7-9-24(28)31)25-21-10-11-23(30)27(21,2)15-13-22(25)26/h18-19,21-23,25,30H,3-17H2,1-2H3,(H2,28,31)/t18?,19-,21-,22-,23-,25-,26-,27-/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	450	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197379 (CHEMBL427078 | N-methyl-8-(17b-hydroxy-5a-androsta...) Show SMILES CNC(=O)CCCCCCCC1C[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/C28H47NO3/c1-27-15-13-21(30)18-20(27)17-19(9-7-5-4-6-8-10-25(32)29-3)26-22-11-12-24(31)28(22,2)16-14-23(26)27/h19-20,22-24,26,31H,4-18H2,1-3H3,(H,29,32)/t19?,20-,22-,23-,24-,26-,27-,28-/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	480	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197387 (8-(17b-hydroxy-5a-androstan-3-one-7a-yl)-1-(piperi...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCCC1)C[C@H]1CC(=O)CC[C@]31C Show InChI InChI=1S/C32H53NO3/c1-31-17-15-25(34)22-24(31)21-23(30-26-13-14-28(35)32(26,2)18-16-27(30)31)11-7-4-3-5-8-12-29(36)33-19-9-6-10-20-33/h23-24,26-28,30,35H,3-22H2,1-2H3/t23?,24-,26-,27-,28-,30-,31-,32-/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	490	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197383 (CHEMBL376182 | N,N-diethyl-7-(17b-hydroxy-5a-andro...) Show SMILES CCN(CC)C(=O)CCCCCCC1C[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/C30H51NO3/c1-5-31(6-2)27(34)12-10-8-7-9-11-21-19-22-20-23(32)15-17-29(22,3)25-16-18-30(4)24(28(21)25)13-14-26(30)33/h21-22,24-26,28,33H,5-20H2,1-4H3/t21?,22-,24-,25-,26-,28-,29-,30-/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	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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197370 (8-(17b-hydroxy-5a-androstan-3-one-7a-yl)-1-(morpho...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCOCC1)C[C@H]1CC(=O)CC[C@]31C Show InChI InChI=1S/C31H51NO4/c1-30-14-12-24(33)21-23(30)20-22(29-25-10-11-27(34)31(25,2)15-13-26(29)30)8-6-4-3-5-7-9-28(35)32-16-18-36-19-17-32/h22-23,25-27,29,34H,3-21H2,1-2H3/t22?,23-,25-,26-,27-,29-,30-,31-/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	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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197364 (CHEMBL387651 | N-ethyl-8-(17b-hydroxy-5a-androstan...) Show SMILES CCNC(=O)CCCCCCCC1C[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/c1-4-30-26(33)11-9-7-5-6-8-10-20-18-21-19-22(31)14-16-28(21,2)24-15-17-29(3)23(27(20)24)12-13-25(29)32/h20-21,23-25,27,32H,4-19H2,1-3H3,(H,30,33)/t20?,21-,23-,24-,25-,27-,28-,29-/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	940	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197375 (CHEMBL375282 | N-methyl-N-propyl-8-(17b-hydroxy-5a...) Show SMILES CCCN(C)C(=O)CCCCCCCC1C[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/C31H53NO3/c1-5-19-32(4)28(35)12-10-8-6-7-9-11-22-20-23-21-24(33)15-17-30(23,2)26-16-18-31(3)25(29(22)26)13-14-27(31)34/h22-23,25-27,29,34H,5-21H2,1-4H3/t22?,23-,25-,26-,27-,29-,30-,31-/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	1.10E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197373 (CHEMBL375675 | N-n-butyl-N-methyl-11-(17b-hydroxy-...) Show SMILES CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2CC(=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/C35H61NO3/c1-5-6-23-36(4)32(39)16-14-12-10-8-7-9-11-13-15-26-24-27-25-28(37)19-21-34(27,2)30-20-22-35(3)29(33(26)30)17-18-31(35)38/h26-27,29-31,33,38H,5-25H2,1-4H3/t26-,27?,29+,30+,31+,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	1.30E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197384 (CHEMBL223355 | N-benzyl-N-methyl-8-(17b-hydroxy-5a...) Show SMILES CN(Cc1ccccc1)C(=O)CCCCCCCC1C[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/C35H53NO3/c1-34-20-18-28(37)23-27(34)22-26(33-29-16-17-31(38)35(29,2)21-19-30(33)34)14-10-5-4-6-11-15-32(39)36(3)24-25-12-8-7-9-13-25/h7-9,12-13,26-27,29-31,33,38H,4-6,10-11,14-24H2,1-3H3/t26?,27-,29-,30-,31-,33-,34-,35-/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	1.60E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197378 (CHEMBL224779 | N-n-butyl-N-methyl-10-(17b-hydroxy-...) Show SMILES CCCCN(C)C(=O)CCCCCCCCC[C@@H]1CC2CC(=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/C34H59NO3/c1-5-6-22-35(4)31(38)15-13-11-9-7-8-10-12-14-25-23-26-24-27(36)18-20-33(26,2)29-19-21-34(3)28(32(25)29)16-17-30(34)37/h25-26,28-30,32,37H,5-24H2,1-4H3/t25-,26?,28+,29+,30+,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	1.80E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197361 (CHEMBL224734 | N-propyl-8-(17b-hydroxy-5a-androsta...) Show SMILES CCCNC(=O)CCCCCCCC1C[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/C30H51NO3/c1-4-18-31-27(34)11-9-7-5-6-8-10-21-19-22-20-23(32)14-16-29(22,2)25-15-17-30(3)24(28(21)25)12-13-26(30)33/h21-22,24-26,28,33H,4-20H2,1-3H3,(H,31,34)/t21?,22-,24-,25-,26-,28-,29-,30-/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	1.80E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197358 (17b-hydroxy-7a-{9-(4,4,5,5,5-pentafluoropentylsulf...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C Show InChI InChI=1S/C33H53F5O3S/c1-30-17-14-25(39)22-24(30)21-23(29-26-12-13-28(40)31(26,2)18-15-27(29)30)11-8-6-4-3-5-7-9-19-42(41)20-10-16-32(34,35)33(36,37)38/h23-24,26-29,40H,3-22H2,1-2H3/t23-,24?,26+,27+,28+,29+,30+,31+,42?/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	2.90E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197382 (CHEMBL389631 | N-n-butyl-N-methyl-9-(17b-hydroxy-5...) Show SMILES CCCCN(C)C(=O)CCCCCCCC[C@@H]1CC2CC(=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/C33H57NO3/c1-5-6-21-34(4)30(37)14-12-10-8-7-9-11-13-24-22-25-23-26(35)17-19-32(25,2)28-18-20-33(3)27(31(24)28)15-16-29(33)36/h24-25,27-29,31,36H,5-23H2,1-4H3/t24-,25?,27+,28+,29+,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	3.40E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197359 (CHEMBL373460 | N-n-butyl-N-methyl-12-(17b-hydroxy-...) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCC[C@@H]1CC2CC(=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/C36H63NO3/c1-5-6-24-37(4)33(40)17-15-13-11-9-7-8-10-12-14-16-27-25-28-26-29(38)20-22-35(28,2)31-21-23-36(3)30(34(27)31)18-19-32(36)39/h27-28,30-32,34,39H,5-26H2,1-4H3/t27-,28?,30+,31+,32+,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	3.50E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197386 (CHEMBL276621 | N-butyl-8-(17b-hydroxy-5a-androstan...) Show SMILES CCCCNC(=O)CCCCCCCC1C[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/C31H53NO3/c1-4-5-19-32-28(35)12-10-8-6-7-9-11-22-20-23-21-24(33)15-17-30(23,2)26-16-18-31(3)25(29(22)26)13-14-27(31)34/h22-23,25-27,29,34H,4-21H2,1-3H3,(H,32,35)/t22?,23-,25-,26-,27-,29-,30-,31-/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	6.30E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197362 (CHEMBL224047 | N-hexyl-8-(17b-hydroxy-5a-androstan...) Show SMILES CCCCCCNC(=O)CCCCCCCC1C[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/C33H57NO3/c1-4-5-6-12-21-34-30(37)14-11-9-7-8-10-13-24-22-25-23-26(35)17-19-32(25,2)28-18-20-33(3)27(31(24)28)15-16-29(33)36/h24-25,27-29,31,36H,4-23H2,1-3H3,(H,34,37)/t24?,25-,27-,28-,29-,31-,32-,33-/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	6.60E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197377 (17b-hydroxy-7a-{11-(4,4,5,5,5-pentafluoropentylsul...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C Show InChI InChI=1S/C35H57F5O3S/c1-32-19-16-27(41)24-26(32)23-25(31-28-14-15-30(42)33(28,2)20-17-29(31)32)13-10-8-6-4-3-5-7-9-11-21-44(43)22-12-18-34(36,37)35(38,39)40/h25-26,28-31,42H,3-24H2,1-2H3/t25-,26?,28+,29+,30+,31+,32+,33+,44?/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	>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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197367 (CHEMBL224216 | N,N-dihexyl-8-(17b-hydroxy-5a-andro...) Show SMILES CCCCCCN(CCCCCC)C(=O)CCCCCCCC1C[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/C39H69NO3/c1-5-7-9-16-26-40(27-17-10-8-6-2)36(43)19-15-13-11-12-14-18-30-28-31-29-32(41)22-24-38(31,3)34-23-25-39(4)33(37(30)34)20-21-35(39)42/h30-31,33-35,37,42H,5-29H2,1-4H3/t30?,31-,33-,34-,35-,37-,38-,39-/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	>1.00E+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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197371 (17beta-Hydroxy-7a-{5-(4,4,5,5,5-pentafluoropentyls...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C Show InChI InChI=1S/C29H45F5O3S/c1-26-13-10-21(35)18-20(26)17-19(25-22-8-9-24(36)27(22,2)14-11-23(25)26)7-4-3-5-15-38(37)16-6-12-28(30,31)29(32,33)34/h19-20,22-25,36H,3-18H2,1-2H3/t19-,20?,22+,23+,24+,25+,26+,27+,38?/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	>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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197374 (17b-hydroxy-7a-{7-(4,4,5,5,5-pentafluoropentylsulf...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C Show InChI InChI=1S/C31H49F5O3S/c1-28-15-12-23(37)20-22(28)19-21(27-24-10-11-26(38)29(24,2)16-13-25(27)28)9-6-4-3-5-7-17-40(39)18-8-14-30(32,33)31(34,35)36/h21-22,24-27,38H,3-20H2,1-2H3/t21-,22?,24+,25+,26+,27+,28+,29+,40?/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	>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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197369 (17b-hydroxy-7a-{13-(4,4,5,5,5-pentafluoropentylsul...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C Show InChI InChI=1S/C37H61F5O3S/c1-34-21-18-29(43)26-28(34)25-27(33-30-16-17-32(44)35(30,2)22-19-31(33)34)15-12-10-8-6-4-3-5-7-9-11-13-23-46(45)24-14-20-36(38,39)37(40,41)42/h27-28,30-33,44H,3-26H2,1-2H3/t27-,28?,30+,31+,32+,33+,34+,35+,46?/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	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 androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair