BDBM50287907 4-[2-Acetyl-4-(3-methoxy-benzyloxy)-phenoxy]-butyronitrile::CHEMBL18993

SMILES: COc1cccc(COc2ccc(OCCCC#N)c(c2)C(C)=O)c1

InChI Key: InChIKey=RWFMHQHNWOQIKX-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 = 50287907   

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))	BDBM50287907 (4-[2-Acetyl-4-(3-methoxy-benzyloxy)-phenoxy]-butyr...) Show SMILES COc1cccc(COc2ccc(OCCCC#N)c(c2)C(C)=O)c1 Show InChI InChI=1S/C20H21NO4/c1-15(22)19-13-18(8-9-20(19)24-11-4-3-10-21)25-14-16-6-5-7-17(12-16)23-2/h5-9,12-13H,3-4,11,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	200	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