BDBM50315226 Benzyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate::CHEMBL1089536

SMILES Oc1cc2c(Cl)c(sc2c(c1O)[N+]([O-])=O)C(=O)OCc1ccccc1

InChI Key InChIKey=OCQZLJSJWBLRML-UHFFFAOYSA-N

Data  1 KI

  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 = 50315226   

TargetCatechol O-methyltransferase(Homo sapiens (Human))
University Of Eastern Finland

Curated by ChEMBL
LigandPNGBDBM50315226(Benzyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiop...)
Affinity DataKi:  10.2nMAssay Description:Inhibition of human recombinant COMT by microplate screening assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed