Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50034315   

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))	BDBM50360442 (CHEMBL1934442) Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H17N3/c1-15-20(13-23)21(19-10-8-17(12-22)9-11-19)16(2)24(15)14-18-6-4-3-5-7-18/h3-11H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50360443 (CHEMBL1934443) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H16N4/c1-14-19(11-22)20(18-7-5-16(10-21)6-8-18)15(2)24(14)13-17-4-3-9-23-12-17/h3-9,12H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360441 (CHEMBL1934441) Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O2/c1-14-20(17-9-10-18(12-27)19(11-17)23(24,25)26)21(22(29)30-3)15(2)28(14)13-16-7-5-4-6-8-16/h4-11H,13H2,1-3H3	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360434 (CHEMBL1934434) Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H20N2O4/c1-14-19(17-9-11-18(12-10-17)23(25)26)20(21(24)27-3)15(2)22(14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360429 (CHEMBL1934430) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h5-13H,4,14H2,1-3H3	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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360438 (CHEMBL1934438) Show SMILES Cc1cc(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H18N2O2/c1-14-12-19(17-8-10-18(11-9-17)21(22)23)15(2)20(14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3	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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360444 (CHEMBL1934444) Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccc(Cl)nc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H15ClN4/c1-13-18(10-23)20(17-6-3-15(9-22)4-7-17)14(2)25(13)12-16-5-8-19(21)24-11-16/h3-8,11H,12H2,1-2H3	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360445 (CHEMBL1934445) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cncc(CO)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H18N4O/c1-14-20(9-23)21(19-5-3-16(8-22)4-6-19)15(2)25(14)12-17-7-18(13-26)11-24-10-17/h3-7,10-11,26H,12-13H2,1-2H3	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360426 (CHEMBL1934427) Show SMILES CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H16N2O4/c1-4-21-15(18)14-10(3)16-9(2)13(14)11-5-7-12(8-6-11)17(19)20/h5-8,16H,4H2,1-3H3	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360446 (CHEMBL1934446) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H17ClN4O/c1-13-19(9-24)20(17-5-3-15(8-23)4-6-17)14(2)26(13)11-16-7-18(12-27)21(22)25-10-16/h3-7,10,27H,11-12H2,1-2H3	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360440 (CHEMBL1934440) Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N2O2/c1-15-20(19-11-9-17(13-23)10-12-19)21(22(25)26-3)16(2)24(15)14-18-7-5-4-6-8-18/h4-12H,14H2,1-3H3	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360446 (CHEMBL1934446) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H17ClN4O/c1-13-19(9-24)20(17-5-3-15(8-23)4-6-17)14(2)26(13)11-16-7-18(12-27)21(22)25-10-16/h3-7,10,27H,11-12H2,1-2H3	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360442 (CHEMBL1934442) Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H17N3/c1-15-20(13-23)21(19-10-8-17(12-22)9-11-19)16(2)24(15)14-18-6-4-3-5-7-18/h3-11H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360444 (CHEMBL1934444) Show SMILES Cc1c(C#N)c(c(C)n1Cc1ccc(Cl)nc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H15ClN4/c1-13-18(10-23)20(17-6-3-15(9-22)4-7-17)14(2)25(13)12-16-5-8-19(21)24-11-16/h3-8,11H,12H2,1-2H3	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360427 (CHEMBL1934428) Show SMILES CCOC(=O)c1c(C)n(C)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H18N2O4/c1-5-22-16(19)15-11(3)17(4)10(2)14(15)12-6-8-13(9-7-12)18(20)21/h6-9H,5H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					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	54	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50360443 (CHEMBL1934443) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H16N4/c1-14-19(11-22)20(18-7-5-16(10-21)6-8-18)15(2)24(14)13-17-4-3-9-23-12-17/h3-9,12H,13H2,1-2H3	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360448 (CHEMBL1934448) Show SMILES Cc1c(C#N)c(cn1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H15ClN4O/c1-13-18(8-23)19(16-4-2-14(7-22)3-5-16)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360445 (CHEMBL1934445) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cncc(CO)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H18N4O/c1-14-20(9-23)21(19-5-3-16(8-22)4-6-19)15(2)25(14)12-17-7-18(13-26)11-24-10-17/h3-7,10-11,26H,12-13H2,1-2H3	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
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360433 (CHEMBL1934433) Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H20N2O6S/c1-4-29-21(24)20-15(3)22(30(27,28)18-8-6-5-7-9-18)14(2)19(20)16-10-12-17(13-11-16)23(25)26/h5-13H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360439 (CHEMBL1934439) Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccccc1 Show InChI InChI=1S/C21H21NO2/c1-15-19(18-12-8-5-9-13-18)20(21(23)24-3)16(2)22(15)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360432 (CHEMBL1934432) Show SMILES CCOC(=O)c1c(C)n(C(=O)c2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H20N2O5/c1-4-29-22(26)20-15(3)23(21(25)17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)24(27)28/h5-13H,4H2,1-3H3	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360431 (CHEMBL1933081) Show SMILES CCOC(=O)c1c(C)n(CCc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H24N2O4/c1-4-29-23(26)22-17(3)24(15-14-18-8-6-5-7-9-18)16(2)21(22)19-10-12-20(13-11-19)25(27)28/h5-13H,4,14-15H2,1-3H3	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360448 (CHEMBL1934448) Show SMILES Cc1c(C#N)c(cn1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H15ClN4O/c1-13-18(8-23)19(16-4-2-14(7-22)3-5-16)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360426 (CHEMBL1934427) Show SMILES CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H16N2O4/c1-4-21-15(18)14-10(3)16-9(2)13(14)11-5-7-12(8-6-11)17(19)20/h5-8,16H,4H2,1-3H3	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360440 (CHEMBL1934440) Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)C#N Show InChI InChI=1S/C22H20N2O2/c1-15-20(19-11-9-17(13-23)10-12-19)21(22(25)26-3)16(2)24(15)14-18-7-5-4-6-8-18/h4-12H,14H2,1-3H3	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	270	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360436 (CHEMBL1934436) Show SMILES Cc1c(CO)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H20N2O3/c1-14-19(13-23)20(17-8-10-18(11-9-17)22(24)25)15(2)21(14)12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360434 (CHEMBL1934434) Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H20N2O4/c1-14-19(17-9-11-18(12-10-17)23(25)26)20(21(24)27-3)15(2)22(14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360430 (CHEMBL1934431) Show SMILES CCOC(=O)c1c(C)n(CC2CCCCC2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H28N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h10-13,17H,4-9,14H2,1-3H3	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360447 (CHEMBL1934447) Show SMILES Cc1c(c(cn1Cc1cnc(Cl)c(CO)c1)C#N)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H15ClN4O/c1-13-19(16-4-2-14(7-22)3-5-16)18(8-23)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3	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	320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360441 (CHEMBL1934441) Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O2/c1-14-20(17-9-10-18(12-27)19(11-17)23(24,25)26)21(22(29)30-3)15(2)28(14)13-16-7-5-4-6-8-16/h4-11H,13H2,1-3H3	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	320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					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	330	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50360429 (CHEMBL1934430) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H22N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h5-13H,4,14H2,1-3H3	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360437 (CHEMBL1934437) Show SMILES CC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H20N2O3/c1-14-20(16(3)24)21(18-9-11-19(12-10-18)23(25)26)15(2)22(14)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360438 (CHEMBL1934438) Show SMILES Cc1cc(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H18N2O2/c1-14-12-19(17-8-10-18(11-9-17)21(22)23)15(2)20(14)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3	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	490	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360447 (CHEMBL1934447) Show SMILES Cc1c(c(cn1Cc1cnc(Cl)c(CO)c1)C#N)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H15ClN4O/c1-13-19(16-4-2-14(7-22)3-5-16)18(8-23)11-25(13)10-15-6-17(12-26)20(21)24-9-15/h2-6,9,11,26H,10,12H2,1H3	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	490	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360427 (CHEMBL1934428) Show SMILES CCOC(=O)c1c(C)n(C)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H18N2O4/c1-5-22-16(19)15-11(3)17(4)10(2)14(15)12-6-8-13(9-7-12)18(20)21/h6-9H,5H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360428 (CHEMBL1934429) Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C21H20N2O4/c1-4-27-21(24)20-15(3)22(17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)23(25)26/h5-13H,4H2,1-3H3	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	550	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360435 (CHEMBL1934435) Show SMILES Cc1c(C(O)=O)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H18N2O4/c1-13-18(16-8-10-17(11-9-16)22(25)26)19(20(23)24)14(2)21(13)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)	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	620	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360432 (CHEMBL1934432) Show SMILES CCOC(=O)c1c(C)n(C(=O)c2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H20N2O5/c1-4-29-22(26)20-15(3)23(21(25)17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)24(27)28/h5-13H,4H2,1-3H3	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360439 (CHEMBL1934439) Show SMILES COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccccc1 Show InChI InChI=1S/C21H21NO2/c1-15-19(18-12-8-5-9-13-18)20(21(23)24-3)16(2)22(15)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360430 (CHEMBL1934431) Show SMILES CCOC(=O)c1c(C)n(CC2CCCCC2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H28N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h10-13,17H,4-9,14H2,1-3H3	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360436 (CHEMBL1934436) Show SMILES Cc1c(CO)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H20N2O3/c1-14-19(13-23)20(17-8-10-18(11-9-17)22(24)25)15(2)21(14)12-16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360431 (CHEMBL1933081) Show SMILES CCOC(=O)c1c(C)n(CCc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H24N2O4/c1-4-29-23(26)22-17(3)24(15-14-18-8-6-5-7-9-18)16(2)21(22)19-10-12-20(13-11-19)25(27)28/h5-13H,4,14-15H2,1-3H3	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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360428 (CHEMBL1934429) Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C21H20N2O4/c1-4-27-21(24)20-15(3)22(17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)23(25)26/h5-13H,4H2,1-3H3	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	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360437 (CHEMBL1934437) Show SMILES CC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H20N2O3/c1-14-20(16(3)24)21(18-9-11-19(12-10-18)23(25)26)15(2)22(14)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360433 (CHEMBL1934433) Show SMILES CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H20N2O6S/c1-4-29-21(24)20-15(3)22(30(27,28)18-8-6-5-7-9-18)14(2)19(20)16-10-12-17(13-11-16)23(25)26/h5-13H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360435 (CHEMBL1934435) Show SMILES Cc1c(C(O)=O)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H18N2O4/c1-13-18(16-8-10-17(11-9-16)22(25)26)19(20(23)24)14(2)21(13)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24)	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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair				3D Structure (crystal)

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