BDBM50017851 3-(3,4-Dihydroxy-5-trifluoromethyl-benzylidene)-pentane-2,4-dione::CHEMBL354517

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

InChI Key InChIKey=MQWQFFRRTCJEHC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017851   

TargetCatechol O-methyltransferase(Rat)
Orion

Curated by ChEMBL
LigandPNGBDBM50017851(CHEMBL354517 | 3-(3,4-Dihydroxy-5-trifluoromethyl-...)
Affinity DataIC50: 1.50E+3nMAssay 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
PubMed