BDBM50456311 CHEMBL4213024

SMILES CN(C)S(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1

InChI Key InChIKey=IPRTVRBMOGEPMJ-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 = 50456311   

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

Curated by ChEMBL
LigandPNGBDBM50456311(CHEMBL4213024)
Affinity DataIC50:  40nMAssay 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(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456311(CHEMBL4213024)
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