Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50379779'   

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))	BDBM50379779 (CHEMBL2011372) Show SMILES FC(F)(F)c1cc(ccc1C#N)-n1c2cccnc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C21H13F3N4O/c22-21(23,24)17-11-16(9-8-15(17)12-25)28-18-7-4-10-26-19(18)27(20(28)29)13-14-5-2-1-3-6-14/h1-11H,13H2	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	588	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881				Bioorg Med Chem Lett 22: 2572-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.116 BindingDB Entry DOI: 10.7270/Q2XP75Z5
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