BDBM50017852 4-(3,4-Dihydroxy-5-nitro-phenyl)-3-methyl-but-3-en-2-one::CHEMBL167054

SMILES CC(=O)C(C)=Cc1cc(O)c(O)c(c1)[N+]([O-])=O

InChI Key InChIKey=KRPOYUUBZXFYOJ-UHFFFAOYSA-N

Data  1 IC50

  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 = 50017852   

TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Orion

Curated by ChEMBL
LigandPNGBDBM50017852(4-(3,4-Dihydroxy-5-nitro-phenyl)-3-methyl-but-3-en...)
Affinity DataIC50:  12nMAssay 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 ArticlePubMed