BDBM50534433 CHEMBL4448310

SMILES Oc1cc(\C=C(/C#N)C(=O)NCc2ccccc2)cc(c1O)[N+]([O-])=O

InChI Key InChIKey=YMFLHJHFLCZLTD-AWNIVKPZSA-N

Data  2 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 2 hits for monomerid = 50534433   

TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
University Of Porto

Curated by ChEMBL
LigandPNGBDBM50534433(CHEMBL4448310)
Affinity DataIC50:  3.10nMAssay Description:Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
University Of Porto

Curated by ChEMBL
LigandPNGBDBM50534433(CHEMBL4448310)
Affinity DataIC50:  30nMAssay Description:Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed