Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'tachibana' and Initial = 'k'   

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))	BDBM50317662 (3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...) Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C15H17ClN4O3S2/c1-15(2)13(21)20(11-5-4-10(9-17)12(16)8-11)14(24)19(15)6-3-7-25(18,22)23/h4-5,8H,3,6-7H2,1-2H3,(H2,18,22,23)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317662 (3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...) Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C15H17ClN4O3S2/c1-15(2)13(21)20(11-5-4-10(9-17)12(16)8-11)14(24)19(15)6-3-7-25(18,22)23/h4-5,8H,3,6-7H2,1-2H3,(H2,18,22,23)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317664 (2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-thi...) Show SMILES CN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C14H12F3N3OS/c1-13(2)11(21)20(12(22)19(13)3)9-5-4-8(7-18)10(6-9)14(15,16)17/h4-6H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	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 AR expressed in CHO-K1 cells after 2 hrs by scintillation counting				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317655 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H17F3N4O3S2/c1-15(2)13(24)23(14(27)22(15)6-3-7-28(21,25)26)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8H,3,6-7H2,1-2H3,(H2,21,25,26)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50331872 (5-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cncc(c1)S(N)(=O)=O Show InChI InChI=1S/C18H14F3N5O3S2/c1-17(2)15(27)25(11-4-3-10(7-22)14(6-11)18(19,20)21)16(30)26(17)12-5-13(9-24-8-12)31(23,28)29/h3-6,8-9H,1-2H3,(H2,23,28,29)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317656 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-4-8-29(26,27)22-3)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,22H,4,7-8H2,1-3H3	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
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))	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))	BDBM50331871 (5-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cncc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H14ClN5O3S2/c1-17(2)15(24)22(11-4-3-10(7-19)14(18)6-11)16(27)23(17)12-5-13(9-21-8-12)28(20,25)26/h3-6,8-9H,1-2H3,(H2,20,25,26)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317660 (3-[3-(4-Cyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2...) Show SMILES Cc1cc(ccc1C#N)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O Show InChI InChI=1S/C16H20N4O3S2/c1-11-9-13(6-5-12(11)10-17)20-14(21)16(2,3)19(15(20)24)7-4-8-25(18,22)23/h5-6,9H,4,7-8H2,1-3H3,(H2,18,22,23)	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317652 (4-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(CCCC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H17F3N4O2S/c1-16(2)14(26)24(15(27)23(16)7-3-4-13(22)25)11-6-5-10(9-21)12(8-11)17(18,19)20/h5-6,8H,3-4,7H2,1-2H3,(H2,22,25)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317658 (2-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(CCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C15H15F3N4O3S2/c1-14(2)12(23)22(13(26)21(14)5-6-27(20,24)25)10-4-3-9(8-19)11(7-10)15(16,17)18/h3-4,7H,5-6H2,1-2H3,(H2,20,24,25)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50331870 (4-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccnc(c1)S(N)(=O)=O Show InChI InChI=1S/C18H14F3N5O3S2/c1-17(2)15(27)25(11-4-3-10(9-22)13(7-11)18(19,20)21)16(30)26(17)12-5-6-24-14(8-12)31(23,28)29/h3-8H,1-2H3,(H2,23,28,29)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317657 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CN(C)S(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H21F3N4O3S2/c1-17(2)15(26)25(13-7-6-12(11-22)14(10-13)18(19,20)21)16(29)24(17)8-5-9-30(27,28)23(3)4/h6-7,10H,5,8-9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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 AR expressed in CHO-K1 cells after 2 hrs by scintillation counting				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317654 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(CCCNS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H18F3N5O3S2/c1-15(2)13(25)24(14(28)23(15)7-3-6-22-29(21,26)27)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8,22H,3,6-7H2,1-2H3,(H2,21,26,27)	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	89	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
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))	BDBM50331865 (4-(3-Phenyl-4,4-dimethyl-5-oxo-2-thioxoimidazolidi...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C19H14F3N3OS/c1-18(2)16(26)24(17(27)25(18)13-6-4-3-5-7-13)14-9-8-12(11-23)15(10-14)19(20,21)22/h3-10H,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	100	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50331866 (3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C18H15ClN4O3S2/c1-18(2)16(24)22(12-7-6-11(10-20)15(19)9-12)17(27)23(18)13-4-3-5-14(8-13)28(21,25)26/h3-9H,1-2H3,(H2,21,25,26)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50331867 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H15F3N4O3S2/c1-18(2)16(27)25(12-7-6-11(10-23)15(9-12)19(20,21)22)17(30)26(18)13-4-3-5-14(8-13)31(24,28)29/h3-9H,1-2H3,(H2,24,28,29)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50331868 (6-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(n1)S(N)(=O)=O Show InChI InChI=1S/C17H14ClN5O3S2/c1-17(2)15(24)22(11-7-6-10(9-19)12(18)8-11)16(27)23(17)13-4-3-5-14(21-13)28(20,25)26/h3-8H,1-2H3,(H2,20,25,26)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50331869 (6-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(n1)S(N)(=O)=O Show InChI InChI=1S/C18H14F3N5O3S2/c1-17(2)15(27)25(11-7-6-10(9-22)12(8-11)18(19,20)21)16(30)26(17)13-4-3-5-14(24-13)31(23,28)29/h3-8H,1-2H3,(H2,23,28,29)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					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	110	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 androgen receptor expressed in CHOK1 cells				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))	BDBM50317659 (4-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(CCCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-3-4-8-29(22,26)27)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H2,22,26,27)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					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	110	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 androgen receptor expressed in CHOK1 cells				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	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 androgen receptor expressed in CHOK1 cells				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	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 androgen receptor expressed in CHOK1 cells				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))	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))	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))	BDBM50317655 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C16H17F3N4O3S2/c1-15(2)13(24)23(14(27)22(15)6-3-7-28(21,25)26)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8H,3,6-7H2,1-2H3,(H2,21,25,26)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR in human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					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	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))	BDBM50317656 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-4-8-29(26,27)22-3)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,22H,4,7-8H2,1-3H3	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	170	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 AR expressed in CHO-K1 cells after 2 hrs by scintillation counting				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					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))	BDBM50317656 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-4-8-29(26,27)22-3)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,22H,4,7-8H2,1-3H3	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	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 AR in human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
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))	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 androgen receptor expressed in CHOK1 cells				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	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 androgen receptor expressed in CHOK1 cells				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	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))	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 AR expressed in CHO-K1 cells after 2 hrs by scintillation counting				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50317653 (3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethy...) Show SMILES CC1(C)N(CCCNC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H18F3N5O2S/c1-16(2)13(26)25(15(28)24(16)7-3-6-23-14(22)27)11-5-4-10(9-21)12(8-11)17(18,19)20/h4-5,8H,3,6-7H2,1-2H3,(H3,22,23,27)	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 AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50317662 (3-[3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2...) Show SMILES CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C15H17ClN4O3S2/c1-15(2)13(21)20(11-5-4-10(9-17)12(16)8-11)14(24)19(15)6-3-7-25(18,22)23/h4-5,8H,3,6-7H2,1-2H3,(H2,18,22,23)	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 human AR expressed in human HeLa cells co-transfected with MMTV-Luc-Hyg after 48 hrs by transient-luciferase reporter gene ass...				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					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))	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 Antagonist activity at human AR expressed in human HeLa cells co-transfected with MMTV-Luc-Hyg after 48 hrs by transient-luciferase reporter gene ass...				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50331865 (4-(3-Phenyl-4,4-dimethyl-5-oxo-2-thioxoimidazolidi...) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C19H14F3N3OS/c1-18(2)16(26)24(17(27)25(18)13-6-4-3-5-7-13)14-9-8-12(11-23)15(10-14)19(20,21)22/h3-10H,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	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 human AR expressed in human HeLa cells co-transfected with MMTV-Luc-Hyg after 48 hrs by transient-luciferase reporter gene ass...				Bioorg Med Chem 18: 8150-7 (2010) Article DOI: 10.1016/j.bmc.2010.10.023 BindingDB Entry DOI: 10.7270/Q29S1S1P
					More data for this Ligand-Target Pair
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))	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	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 androgen receptor expressed in CHOK1 cells				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))	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))	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	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 androgen receptor expressed in CHOK1 cells				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))	BDBM50317663 (3-[3-(4-Cyano-2-methyl-3-trifluoromethylphenyl)-5,...) Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O Show InChI InChI=1S/C17H19F3N4O3S2/c1-10-12(6-5-11(9-21)13(10)17(18,19)20)24-14(25)16(2,3)23(15(24)28)7-4-8-29(22,26)27/h5-6H,4,7-8H2,1-3H3,(H2,22,26,27)	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 AR expressed in CHO-K1 cells after 2 hrs by scintillation counting				Bioorg Med Chem 18: 3159-68 (2010) Article DOI: 10.1016/j.bmc.2010.03.036 BindingDB Entry DOI: 10.7270/Q2DJ5GK5
					More data for this Ligand-Target Pair

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