BDBM50287916 4-[2-Acetyl-4-(3-trifluoromethyl-benzyloxy)-phenoxy]-butyronitrile::CHEMBL18813

SMILES: CC(=O)c1cc(OCc2cccc(c2)C(F)(F)F)ccc1OCCCC#N

InChI Key: InChIKey=IULLESORCKYMGA-UHFFFAOYSA-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 = 50287916   

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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50287916 (4-[2-Acetyl-4-(3-trifluoromethyl-benzyloxy)-phenox...) Show SMILES CC(=O)c1cc(OCc2cccc(c2)C(F)(F)F)ccc1OCCCC#N Show InChI InChI=1S/C20H18F3NO3/c1-14(25)18-12-17(7-8-19(18)26-10-3-2-9-24)27-13-15-5-4-6-16(11-15)20(21,22)23/h4-8,11-12H,2-3,10,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair