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 5 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
TargetCruzipain(Trypanosoma cruzi)
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM50303403(2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile ...)
Affinity DataIC50: >6.00E+4nMAssay Description:Inhibition of Tryapanosom cruzi cruzain by quantitative high throughput screeningMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50303403(2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile ...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCruzipain(Trypanosoma cruzi)
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM50303403(2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile ...)
Affinity DataIC50: >1.20E+5nMAssay Description:Inhibition of Tryapanosom cruzi cruzain by Flexstation microplate spectrofluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed