BDBM50315220 (2-oxo-1,3-dioxol-4-yl)methyl 3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate::CHEMBL1091983

SMILES Oc1cc2c(Cl)c(sc2c(c1O)[N+]([O-])=O)C(=O)OCc1coc(=O)o1

InChI Key InChIKey=PJOJRTXYGCBIQQ-UHFFFAOYSA-N

Data  1 KI

  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 = 50315220   

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

Curated by ChEMBL
LigandPNGBDBM50315220((2-oxo-1,3-dioxol-4-yl)methyl 3-chloro-5,6-dihydro...)
Affinity DataKi:  1.60nMAssay Description:Inhibition of human recombinant COMT by microplate screening assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed