BDBM50086216 CHEMBL3425742

SMILES NCCc1cc(=O)c(O)cn1-c1cccc(c1)-c1ccccc1

InChI Key InChIKey=KGALNCYLPUEOFS-UHFFFAOYSA-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 = 50086216   

TargetCatechol O-methyltransferase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50086216(CHEMBL3425742)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of recombinant human soluble COMT using dopamine/SAM as substrate/cofactor preincubated for 2 hrs followed by dopamine/SAM addition after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50086216(CHEMBL3425742)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed