Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50317653'   

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))	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))	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	800	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))	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at 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