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Assay Detail

CHEMBL3291950

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of catalytic activity of mouse COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scintillation counting
4
Total Activities
2
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mus musculus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Catechol O-methyltransferase (CHEMBL3286068)
Type SINGLE PROTEIN
Organism Mus musculus

Publication

A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
Lanier M, Ambrus G, Cole DC, Davenport R, Ellery J, Fosbeary R, Jennings AJ, Kadotani A, Kamada Y, Kamran R, Matsumoto S, Mizukami A, Okubo S, Okada K, Saikatendu K, Walsh L, Wu H, Hixon MS.
J Med Chem (2014) 57 : 5459 -5463
PubMed 24847974 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 4 6.26 8.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1089318 OPICAPONE 4.0 2 8.82
CHEMBL3289430 2 4.20

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1089318 OPICAPONE Ki = 1.5 nM 8.82
CHEMBL1089318 OPICAPONE Ki = 15.85 nM 7.80
CHEMBL3289430 Ki = 63000.0 nM 4.20
CHEMBL3289430 Ki = 63095.73 nM 4.20