BDBM86776 Phthalonitrile analogue, 4e

SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N

InChI Key InChIKey=HWZWTQAGSPYDRR-QPJJXVBHSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 86776   

TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

LigandPNGBDBM86776(Phthalonitrile analogue, 4e)
Affinity DataIC50:  399nMpH: 7.4 T: 2°CAssay Description:MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Yaroslavl State Technical University

Curated by ChEMBL
LigandPNGBDBM86776(Phthalonitrile analogue, 4e)
Affinity DataIC50:  642nMAssay Description:Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

LigandPNGBDBM86776(Phthalonitrile analogue, 4e)
Affinity DataIC50:  399nMAssay Description:Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Yaroslavl State Technical University

Curated by ChEMBL
LigandPNGBDBM86776(Phthalonitrile analogue, 4e)
Affinity DataIC50:  6.60nMpH: 7.4 T: 2°CAssay Description:MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed