BDBM206349 US9260413, Example 8

SMILES O=c1[nH]c(-c2cccc(C#Cc3ccccc3)c2)ncc1O

InChI Key InChIKey=PWRXYUJJILWYNW-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 = 206349   

TargetCatechol O-methyltransferase(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 206349BDBM206349(US9260413, Example 8)
Affinity DataIC50: 590nMT: 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