BDBM50537956 CHEMBL4648022

SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6](=O)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c2ccc3c(-[#6])cc(=O)oc3c2)-[#6]-[#6]-1

InChI Key InChIKey=XAISOUKDJOTYKG-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 = 50537956   

TargetAldehyde dehydrogenase 1A1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50537956(CHEMBL4648022)
Affinity DataIC50: 5.86E+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