BDBM50356989 CHEMBL1914477

SMILES: Cc1cc(nn1C)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C

InChI Key: InChIKey=LWPHEGPKWIUWHE-WGSAOQKQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50356989   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen Receptor (Homo sapiens (Human))	BDBM50356989 (CHEMBL1914477) Show SMILES Cc1cc(nn1C)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:10.10,wD:14.15,(44.07,-26.91,;43.58,-25.45,;42.11,-24.99,;42.09,-23.45,;43.55,-22.96,;44.47,-24.19,;46.01,-24.17,;40.74,-22.71,;39.42,-23.5,;40.71,-21.17,;39.36,-20.42,;37.82,-20.42,;37.41,-21.9,;36.32,-20.81,;37.83,-18.88,;36.49,-18.11,;36.5,-16.57,;35.17,-15.81,;35.17,-14.27,;36.51,-13.5,;36.52,-11.96,;36.52,-10.43,;37.84,-14.27,;39.18,-13.51,;37.83,-15.81,;39.36,-18.88,;39.75,-17.38,;40.84,-19.27,)| Show InChI InChI=1S/C21H25ClN4O2/c1-12-9-16(25-26(12)6)17(27)24-18-20(2,3)19(21(18,4)5)28-14-8-7-13(11-23)15(22)10-14/h7-10,18-19H,1-6H3,(H,24,27)/t18-,19-	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	54	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
					More data for this Ligand-Target Pair