Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50356984'   

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))	BDBM50356984 (CHEMBL1916241) Show SMILES CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C)n2)C1(C)C |r,wU:4.3,wD:8.8,(-3.5,-22.05,;-4.84,-21.31,;-6.16,-22.11,;-4.87,-19.77,;-6.22,-19.03,;-7.76,-19.03,;-8.18,-20.5,;-9.26,-19.41,;-7.76,-17.48,;-9.09,-16.71,;-9.09,-15.17,;-10.42,-14.41,;-10.42,-12.87,;-9.08,-12.1,;-9.07,-10.56,;-9.07,-9.03,;-7.75,-12.87,;-6.41,-12.11,;-7.75,-14.41,;-6.22,-17.49,;-5.83,-15.98,;-4.74,-17.87,)| Show InChI InChI=1S/C17H23N3O2/c1-10-12(9-18)7-8-13(19-10)22-15-16(3,4)14(17(15,5)6)20-11(2)21/h7-8,14-15H,1-6H3,(H,20,21)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	519	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
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