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

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

InChI Key InChIKey=UPMRZALMHVUCIN-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017848   

TargetCatechol O-methyltransferase(Rat)
Orion

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50017848BDBM50017848(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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)