BDBM86780 Phthalonitrile analogue, 4i

SMILES Brc1ccc(CCOc2ccc(C#N)c(c2)C#N)cc1

InChI Key InChIKey=RUPYCUXAENPULU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 86780   

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

LigandPNGBDBM86780(Phthalonitrile analogue, 4i)
Affinity DataIC50: 2.45E+3nMpH: 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 Depth
Date in BDB:
6/12/2012
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
North-West University

LigandPNGBDBM86780(Phthalonitrile analogue, 4i)
Affinity DataIC50: 226nMpH: 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 Depth
Date in BDB:
6/12/2012
Entry Details Article
PubMed