BDBM223472 US9320722, 16

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

InChI Key InChIKey=GQRBVPXBTQJIQL-UHFFFAOYSA-O

Data  1 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 1 hit for monomerid = 223472   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University Research and Technology

US Patent
LigandPNGBDBM223472(US9320722, 16)
Affinity DataIC50:  5.00E+4nMpH: 7.5Assay Description:IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent