BDBM50456245 CHEMBL4216465

SMILES COc1ccc2c(N3CCC(CC3)(C#N)c3ccccc3)c(cnc2c1)C(=O)N1CCN(CC1)S(C)(=O)=O

InChI Key InChIKey=VHSHRGVSEXNTQT-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 = 50456245   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456245(CHEMBL4216465)
Affinity DataIC50:  45nMAssay Description:Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456245(CHEMBL4216465)
Affinity DataIC50:  14nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed