BDBM50356986 CHEMBL1916243

SMILES: CC1(C)[C@H](NC(=O)c2ccn[nH]2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=XOFDRIAHHHTIGT-QAQDUYKDSA-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 = 50356986   

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))	BDBM50356986 (CHEMBL1916243) Show SMILES CC1(C)[C@H](NC(=O)c2ccn[nH]2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:15.17,(11.11,-20.91,;11.53,-19.43,;10.03,-19.82,;13.07,-19.43,;14.42,-20.17,;14.45,-21.71,;13.13,-22.51,;15.79,-22.46,;15.81,-23.99,;17.28,-24.45,;18.17,-23.2,;17.26,-21.96,;13.07,-17.89,;13.46,-16.39,;14.54,-18.28,;11.53,-17.89,;10.2,-17.11,;10.2,-15.57,;8.87,-14.81,;8.87,-13.27,;10.21,-12.5,;10.22,-10.96,;10.22,-9.43,;11.54,-13.28,;12.88,-12.51,;11.54,-14.81,)| Show InChI InChI=1S/C19H21ClN4O2/c1-18(2)16(23-15(25)14-7-8-22-24-14)19(3,4)17(18)26-12-6-5-11(10-21)13(20)9-12/h5-9,16-17H,1-4H3,(H,22,24)(H,23,25)/t16-,17-	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	75	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