Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50317660'   

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))	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))	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	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 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))	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	>1.00E+3	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