BDBM50356987 CHEMBL1916244

SMILES: CC1(C)[C@H](NC(=O)c2cn[nH]c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=OXXAYEVCIGATTD-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 = 50356987   

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))	BDBM50356987 (CHEMBL1916244) Show SMILES CC1(C)[C@H](NC(=O)c2cn[nH]c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:15.17,(20.6,-21.31,;21.02,-19.83,;19.51,-20.22,;22.56,-19.83,;23.9,-20.58,;23.93,-22.12,;22.62,-22.91,;25.28,-22.86,;25.3,-24.4,;26.77,-24.86,;27.66,-23.6,;26.74,-22.36,;22.56,-18.29,;22.94,-16.79,;24.03,-18.68,;21.02,-18.29,;19.69,-17.52,;19.69,-15.98,;18.36,-15.22,;18.36,-13.68,;19.7,-12.91,;19.71,-11.37,;19.71,-9.84,;21.03,-13.68,;22.37,-12.91,;21.03,-15.22,)| Show InChI InChI=1S/C19H21ClN4O2/c1-18(2)16(24-15(25)12-9-22-23-10-12)19(3,4)17(18)26-13-6-5-11(8-21)14(20)7-13/h5-7,9-10,16-17H,1-4H3,(H,22,23)(H,24,25)/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	42	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