BDBM50086215 CHEMBL3425743::US9260413, Example 3

SMILES Cn1c(ncc(O)c1=O)-c1cccc(c1)-c1ccccc1

InChI Key InChIKey=XFQLJHLLJPLAPL-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50086215   

TargetCatechol O-methyltransferase(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50086215(CHEMBL3425743 | US9260413, Example 3)
Affinity DataIC50:  170nMT: 2°CAssay Description:To determine IC50 values in the fluorescence polarization assay, solutions of test compounds were prepared and preincubated with COMT enzyme as state...More data for this Ligand-Target Pair
TargetCatechol O-methyltransferase(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50086215(CHEMBL3425743 | US9260413, Example 3)
Affinity DataIC50: >5.00E+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(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50086215(CHEMBL3425743 | US9260413, Example 3)
Affinity DataIC50:  1.00E+3nMAssay 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 Sharp & Dohme

US Patent
LigandPNGBDBM50086215(CHEMBL3425743 | US9260413, Example 3)
Affinity DataIC50:  170nMAssay 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