BDBM223778 US9328112, A6

SMILES Clc1ccc(cc1)S(=O)(=O)n1c(nc2ccccc12)N1CCCCC1

InChI Key InChIKey=QLJGTZZVVATINW-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223778   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 223778BDBM223778(US9328112, A6)
Affinity DataIC50: 1.00E+5nMpH: 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
US Patent