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Assay Detail

CHEMBL4620613

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

Binding
Inhibition of rat liver COMT using esculetin as substrate by fluorescence based spectrophotometry
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Catechol O-methyltransferase (CHEMBL2372)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Evaluation of nitrocatechol chalcone and pyrazoline derivatives as inhibitors of catechol-O-methyltransferase and monoamine oxidase.
Hitge R, Smit S, Petzer A, Petzer JP.
Bioorg Med Chem Lett (2020) 30 : 127188 -127188
PubMed 32299731 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 17 6.77 7.32

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4645524 1 7.32
CHEMBL4646943 1 7.12
CHEMBL4646711 1 7.10
CHEMBL4638572 1 6.85
CHEMBL4642660 1 6.80
CHEMBL4649455 1 6.75
CHEMBL4648330 1 6.75
CHEMBL4646544 1 6.75
CHEMBL4648085 1 6.72
CHEMBL4646238 1 6.68
CHEMBL953 ENTACAPONE 4.0 1 6.64
CHEMBL4639456 1 6.64
CHEMBL4637888 1 6.64
CHEMBL4634068 1 6.62
CHEMBL4645261 1 6.62
CHEMBL4634215 1 6.54
CHEMBL4636840 1 6.54

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4645524 IC50 = 48.0 nM 7.32
CHEMBL4646943 IC50 = 75.0 nM 7.12
CHEMBL4646711 IC50 = 79.0 nM 7.10
CHEMBL4638572 IC50 = 140.0 nM 6.85
CHEMBL4642660 IC50 = 160.0 nM 6.80
CHEMBL4649455 IC50 = 180.0 nM 6.75
CHEMBL4648330 IC50 = 180.0 nM 6.75
CHEMBL4646544 IC50 = 180.0 nM 6.75
CHEMBL4648085 IC50 = 190.0 nM 6.72
CHEMBL4646238 IC50 = 210.0 nM 6.68
CHEMBL953 ENTACAPONE IC50 = 230.0 nM 6.64
CHEMBL4639456 IC50 = 230.0 nM 6.64
CHEMBL4637888 IC50 = 230.0 nM 6.64
CHEMBL4634068 IC50 = 240.0 nM 6.62
CHEMBL4645261 IC50 = 240.0 nM 6.62
CHEMBL4634215 IC50 = 290.0 nM 6.54
CHEMBL4636840 IC50 = 290.0 nM 6.54