BDBM50456229 CHEMBL4216949

SMILES Cn1ncc2c(N3CCC(C)(CC3)C#N)c(cnc12)C(=O)N1CCN(CC1)S(C)(=O)=O

InChI Key InChIKey=BPDXDPDWTNLLSJ-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 = 50456229   

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

Curated by ChEMBL
LigandPNGBDBM50456229(CHEMBL4216949)
Affinity DataIC50: 87nMAssay 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
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456229(CHEMBL4216949)
Affinity DataIC50: 5.23E+3nMAssay Description:Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed