BDBM206347 US9260413, Example 5

SMILES COc1ccc(Oc2cccc(c2)-c2ncc(O)c(=O)n2C)cc1

InChI Key InChIKey=TVHMMAYJPULDQY-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 206347   

TargetCatechol O-methyltransferase(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM206347(US9260413, Example 5)
Affinity DataIC50:  93nMT: 2°CAssay Description:To determine IC50 values in the fluorescence polarization assay, solutions of test compounds were prepared and preincubated with COMT enzyme as state...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent