BDBM50315230 CHEMBL1089504::Methyl-3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate

SMILES COC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O

InChI Key InChIKey=UTYMOZJIQPIDGC-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 = 50315230   

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

Curated by ChEMBL
LigandPNGBDBM50315230(CHEMBL1089504 | Methyl-3-chloro-5,6-dihydroxy-7-ni...)
Affinity DataKi:  2.20nMAssay Description:Inhibition of human recombinant COMT by microplate screening assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed