BDBM50017848 3-(3,4-Dihydroxy-5-nitro-benzylidene)-pentane-2,4-dione::CHEMBL167055::Nitecapone

SMILES [#6]-[#6](=O)-[#6](=[#6]/c1cc(-[#8])c(-[#8])c(c1)-[#7+](-[#8-])=O)\[#6](-[#6])=O

InChI Key InChIKey=BJFHYPVFJBSUFW-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 = 50017848   

TargetCatechol O-methyltransferase(Rat)
Orion

Curated by ChEMBL
LigandPNGBDBM50017848(CHEMBL167055 | 3-(3,4-Dihydroxy-5-nitro-benzyliden...)
Affinity DataIC50: 18nMAssay Description:In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed