BDBM50366404 CHEMBL4162449

SMILES Cl.Cl.COc1ccncc1-c1ccc(CN)o1

InChI Key InChIKey=KERMTVWJVXZGRG-UHFFFAOYSA-N

Data  9 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 = 50366404   

TargetCytochrome P450 2A6(Homo sapiens (Human))
Washington State University

Curated by ChEMBL
LigandPNGBDBM50366404(CHEMBL4162449)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed