BDBM50287897 4-[2-Acetyl-4-(3,4-dimethyl-benzyloxy)-phenoxy]-butyronitrile::CHEMBL18954

SMILES: CC(=O)c1cc(OCc2ccc(C)c(C)c2)ccc1OCCCC#N

InChI Key: InChIKey=YJONCENRYXWJQV-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 = 50287897   

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))	BDBM50287897 (4-[2-Acetyl-4-(3,4-dimethyl-benzyloxy)-phenoxy]-bu...) Show SMILES CC(=O)c1cc(OCc2ccc(C)c(C)c2)ccc1OCCCC#N Show InChI InChI=1S/C21H23NO3/c1-15-6-7-18(12-16(15)2)14-25-19-8-9-21(20(13-19)17(3)23)24-11-5-4-10-22/h6-9,12-13H,4-5,11,14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	400	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