BDBM50537957 CHEMBL4634418

SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6](=O)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(c1)-[#7+](-[#8-])=O)-c1ccc2c(-[#6])cc(=O)oc2c1

InChI Key InChIKey=MCWMYCCKNKIPOP-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 = 50537957   

TargetAldehyde dehydrogenase 1A1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50537957(CHEMBL4634418)
Affinity DataIC50: 2.93E+4nMAssay 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