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SMILES COc1cc(ccc1Cl)S(=O)(=O)n1c(C)nc2ccccc12

InChI Key InChIKey=KVQWZLVRWDRGEV-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50447059   

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

US Patent
LigandPNGBDBM50447059(CHEMBL3112689 | US9328112, A64)copy SMILEScopy InChI
Affinity DataIC50: 900nMpH: 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2V69HGBUS Patent