BDBM50076670 CHEMBL3416559

SMILES Cc1ccc(Cn2c(CN3CCN(CC3)c3ccccc3)nc3n(C)c(=O)n(C)c(=O)c23)cc1

InChI Key InChIKey=GMVUMBGIYUUGGN-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 = 50076670   

TargetAldehyde dehydrogenase X, mitochondrial(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076670(CHEMBL3416559)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human ALDH1B1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076670(CHEMBL3416559)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed