BDBM50086213 CHEMBL3425734

SMILES Oc1cn(ccc1=O)-c1cccc(c1)-c1ccccc1

InChI Key InChIKey=IAMQYYMWXQPFDC-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086213   

TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50086213(CHEMBL3425734)
Affinity DataIC50:  16nMAssay Description:Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50086213(CHEMBL3425734)
Affinity DataIC50:  1.10E+3nMAssay 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
TargetCatechol O-methyltransferase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50086213(CHEMBL3425734)
Affinity DataIC50:  47nMAssay 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