BDBM50315222 1-(Butyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate::CHEMBL1091981

SMILES CCCC(=O)OC(C)OC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O

InChI Key InChIKey=CATZELKZCWQOCF-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315222   

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

Curated by ChEMBL
LigandPNGBDBM50315222(1-(Butyryloxy)ethyl-3-chloro-5,6-dihydroxy-7-nitro...)
Affinity DataKi:  16.6nMAssay Description:Inhibition of human recombinant COMT by microplate screening assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed