BDBM50557071 CHEMBL465952

SMILES c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl

InChI Key InChIKey=NMKJFZCBCIUYHI-UHFFFAOYSA-N

Data  1 EC50

PDB links: 2 PDB IDs match this monomer.

  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 1 hit for monomerid = 50557071   

TargetAldehyde dehydrogenase, mitochondrial(Human)
Second Military Medical University

Curated by ChEMBL
LigandPNGBDBM50557071(CHEMBL465952)
Affinity DataEC50:  4.30E+3nMAssay Description:Allosteric activation of recombinant human full-length ALDH2 (18 to 517 residues) expressed in Escherichia coli using acetaldehyde as substrate measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)