Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50331869'   

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))	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))	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	700	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