BDBM50534435 CHEMBL4543735

SMILES Oc1cc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc(c1O)[N+]([O-])=O

InChI Key InChIKey=PFXDRMQFRBWFKU-RIYZIHGNSA-N

Data  3 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 3 hits for monomerid = 50534435   

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

Curated by ChEMBL
LigandPNGBDBM50534435(CHEMBL4543735)
Affinity DataIC50:  3.70nMAssay 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
LigandPNGBDBM50534435(CHEMBL4543735)
Affinity DataIC50:  3.80nMAssay 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
LigandPNGBDBM50534435(CHEMBL4543735)
Affinity DataIC50:  65nMAssay 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