BDBM109222 CB29 (derivative 12)

SMILES CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1

InChI Key InChIKey=MXKYTWALJDFTNR-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 109222   

TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

LigandPNGBDBM109222(CB29 (derivative 12))
Affinity DataIC50: 1.68E+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
LigandPNGBDBM109222(CB29 (derivative 12))
Affinity DataIC50: 1.96E+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