BDBM206348 US9260413, Example 6

SMILES Oc1cnc([nH]c1=O)-c1ccc(cc1)C(F)(F)F

InChI Key InChIKey=ZABWLHSHNHMVBN-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 = 206348   

TargetCatechol O-methyltransferase(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM206348(US9260413, Example 6)
Affinity DataIC50: 210nMT: 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
In Depth
Date in BDB:
12/28/2016
Entry Details
US Patent