BDBM50537953 CHEMBL4647469

SMILES CCN(C(=O)CCN1CCN(CC1)C(=O)c1ccco1)c1ccc2c(C)cc(=O)oc2c1

InChI Key InChIKey=VHOOCQWWTZGDNX-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50537953   

TargetAldehyde dehydrogenase 1A1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50537953(CHEMBL4647469)
Affinity DataIC50: 3.87E+3nMAssay Description:Inhibition of N-terminal Met/His6-tagged recombinant human ALDH1A1 (Ser2-Ser501 residues) expressed in Escherichia coli cells using propionaldehyde a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed