BDBM50303403 2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile::CHEMBL570844::cid_1633306

SMILES Cc1cc(=O)oc2cc(OCC#N)ccc12

InChI Key InChIKey=CHEJMMUWVPMMQY-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 EC50

  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 = 50303403   

TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50303403(2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile ...)
Affinity DataKi:  5.60E+3nMAssay Description:Mixed-type non-competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase act...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50303403(2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile ...)
Affinity DataKi:  6.90E+3nMAssay Description:Non-competitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase ac...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed