BDBM109226 CB29 (derivative 16)

SMILES CC(Nc1ccc(cc1[N+]([O-])=O)S(C)(=O)=O)C(O)=O

InChI Key InChIKey=RYFQQBYMHATANZ-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 = 109226   

TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

LigandPNGBDBM109226(CB29 (derivative 16))
Affinity DataIC50: 5.00E+4nMAssay Description:To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/16/2014
Entry Details Article
PubMed