BDBM18526 6-amino-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one::6-amino-4-trifluoromethylquinolin-2(1H)-one, 3

SMILES: Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F

InChI Key: InChIKey=LMXZMEMPGRLDIG-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 18526   

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))	BDBM18526 (6-amino-4-(trifluoromethyl)-1,2-dihydroquinolin-2-...) Show SMILES Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O/c11-10(12,13)7-4-9(16)15-8-2-1-5(14)3-6(7)8/h1-4H,14H2,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-7.09	26	n/a	n/a	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 49: 6143-6 (2006) Article DOI: 10.1021/jm060792t BindingDB Entry DOI: 10.7270/Q26971VV
					More data for this Ligand-Target Pair