BDBM50567370 CHEMBL4860590

SMILES Cn1ncc2c1c1C(=O)CC(Sc1n(-c1ccccc1)c2=O)c1ccccc1

InChI Key InChIKey=HNIKTKHHFHVUMH-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50567370   

TargetAldehyde dehydrogenase 1A1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50567370(CHEMBL4860590)
Affinity DataIC50: 206nMAssay 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
PubMed
TargetRetinal dehydrogenase 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50567370(CHEMBL4860590)
Affinity DataIC50: 400nMAssay 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
LigandPNGBDBM50567370(CHEMBL4860590)
Affinity DataIC50: 690nMAssay 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