BDBM50356985 CHEMBL1916242

SMILES: CC1(C)[C@H](NC(=O)c2cnccn2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=UJGHHBVDUKXUCV-IYARVYRRSA-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 = 50356985   

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))	BDBM50356985 (CHEMBL1916242) Show SMILES CC1(C)[C@H](NC(=O)c2cnccn2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:16.18,(2.03,-20.07,;2.44,-18.6,;.94,-18.99,;3.98,-18.6,;5.33,-19.34,;5.36,-20.88,;4.04,-21.68,;6.71,-21.62,;6.73,-23.16,;8.08,-23.91,;9.4,-23.11,;9.36,-21.56,;8.01,-20.83,;3.98,-17.06,;4.37,-15.56,;5.46,-17.45,;2.44,-17.05,;1.11,-16.28,;1.12,-14.74,;-.21,-13.98,;-.21,-12.44,;1.13,-11.67,;1.13,-10.13,;1.14,-8.6,;2.46,-12.44,;3.79,-11.68,;2.45,-13.98,)| Show InChI InChI=1S/C20H21ClN4O2/c1-19(2)17(25-16(26)15-11-23-7-8-24-15)20(3,4)18(19)27-13-6-5-12(10-22)14(21)9-13/h5-9,11,17-18H,1-4H3,(H,25,26)/t17-,18-	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	82	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