BDBM50356981 CHEMBL1916238

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

InChI Key: InChIKey=OQYHYFVZXHZEGJ-WKILWMFISA-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 = 50356981   

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))	BDBM50356981 (CHEMBL1916238) Show SMILES CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C)c2)C1(C)C |r,wU:4.3,wD:8.8,(19.82,-7.76,;18.47,-7.01,;17.15,-7.81,;18.44,-5.47,;17.09,-4.73,;15.55,-4.73,;15.14,-6.21,;14.05,-5.12,;15.55,-3.19,;14.22,-2.41,;14.22,-.87,;12.89,-.11,;12.89,1.43,;14.23,2.2,;14.24,3.74,;14.24,5.27,;15.56,1.42,;16.9,2.19,;15.56,-.11,;17.09,-3.19,;17.48,-1.69,;18.57,-3.58,)| Show InChI InChI=1S/C18H24N2O2/c1-11-9-14(8-7-13(11)10-19)22-16-17(3,4)15(18(16,5)6)20-12(2)21/h7-9,15-16H,1-6H3,(H,20,21)/t15-,16-	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	70	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