BDBM50447058 CHEMBL1308268::US9328112, A70

SMILES COc1cc(ccc1F)S(=O)(=O)n1c(C)nc2ccccc12

InChI Key InChIKey=DRJGLNJUJMRVJJ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 50447058   

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

US Patent
LigandPNGBDBM50447058(CHEMBL1308268 | US9328112, A70)
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 US Patent