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BDBM50287910 4-[4-(3-Fluoro-benzyloxy)-2-propionyl-phenoxy]-butyronitrile::CHEMBL19186

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

InChI Key: InChIKey=PFKBZIJBXFAIRV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287910   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50287910
PNG
(4-[4-(3-Fluoro-benzyloxy)-2-propionyl-phenoxy]-but...)
Show SMILES CCC(=O)c1cc(OCc2cccc(F)c2)ccc1OCCCC#N
Show InChI InChI=1S/C20H20FNO3/c1-2-19(23)18-13-17(8-9-20(18)24-11-4-3-10-22)25-14-15-6-5-7-16(21)12-15/h5-9,12-13H,2-4,11,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 800n/an/an/an/an/an/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