BDBM50447057 CHEMBL1413180::US9328112, A40

SMILES COc1cc(F)ccc1S(=O)(=O)n1c(C)nc2ccccc12

InChI Key InChIKey=CGOHFSPRPJJTPY-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 = 50447057   

TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447057(CHEMBL1413180 | US9328112, A40)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50447057(CHEMBL1413180 | US9328112, A40)
Affinity DataIC50: >1.00E+5nMpH: 7.5Assay Description:IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...More data for this Ligand-Target Pair
In DepthDetails US Patent