BDBM50447072 CHEMBL1890994::US9328112, A24

SMILES Fc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12

InChI Key InChIKey=MCVDOHRUKGRVJP-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50447072   

TargetAldehyde dehydrogenase, dimeric NADP-preferring(Human)
Indiana University Research and Technology

US Patent
LigandPNGBDBM50447072(CHEMBL1890994 | US9328112, A24)
Affinity DataIC50: 2.10E+3nMpH: 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
In Depth
Date in BDB:
5/1/2017
Entry Details
Go to US Patent

TargetAldehyde dehydrogenase, dimeric NADP-preferring(Human)
Indiana University Research and Technology

US Patent
LigandPNGBDBM50447072(CHEMBL1890994 | US9328112, A24)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed