BDBM50567363 CHEMBL4876602

SMILES C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4

InChI Key InChIKey=JNPNRKXZLIGUCT-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50567363   

TargetAldehyde dehydrogenase 1A1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50567363(CHEMBL4876602)
Affinity DataIC50: 70nMAssay Description:Inhibition of human ALDH1A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometeryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinal dehydrogenase 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50567363(CHEMBL4876602)
Affinity DataIC50: 40nMAssay Description:Inhibition of human ALDH1A2 assessed as NADH formation using propionaldehyde as substrate by spectrophotometeryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50567363(CHEMBL4876602)
Affinity DataIC50: 34nMAssay Description:Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometeryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed