BDBM50456248 CHEMBL4212457

SMILES CCC(C)C1N=C2N(C1=O)C(SC(CC)C(=O)Nc1ccccc1C)=Nc1ccccc21

InChI Key InChIKey=HTFJGDBBWXQQCN-UHFFFAOYSA-N

Data  4 IC50  3 EC50

  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 4 hits for monomerid = 50456248   

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

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataIC50: 1.01E+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
TargetAldehyde dehydrogenase 1A1(Human)
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataIC50: 119nMAssay 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
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataIC50: 390nMAssay Description:Inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21 cells using acetyladehyde as substrate preincubated for 5 mins...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
LigandPNGBDBM50456248(CHEMBL4212457)
Affinity DataIC50: 390nMAssay Description:Inhibition of ALDH1A1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed