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Assay Detail

CHEMBL4158335

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

Binding
Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in presence of SAM by MTase glo methyltransferase assay
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Intermediate

Target

Catechol O-methyltransferase (CHEMBL2023)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase.
Buchler I, Akuma D, Au V, Carr G, de León P, DePasquale M, Ernst G, Huang Y, Kimos M, Kolobova A, Poslusney M, Wei H, Swinnen D, Montel F, Moureau F, Jigorel E, Schulze MED, Wood M, Barrow JC.
J Med Chem (2018) 61 : 9647 -9665
PubMed 30272964 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 25 7.47 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4174978 1 8.70
CHEMBL4167128 1 8.70
CHEMBL4170443 1 8.50
CHEMBL4172614 1 8.40
CHEMBL4171117 1 8.40
CHEMBL4169861 1 8.20
CHEMBL4177089 1 8.20
CHEMBL4160303 1 8.10
CHEMBL4163421 1 8.00
CHEMBL4174102 1 7.70
CHEMBL4174117 1 7.70
CHEMBL4176008 1 7.70
CHEMBL4162990 1 7.30
CHEMBL4166574 1 7.20
CHEMBL4176890 1 7.10
CHEMBL4174751 1 6.70
CHEMBL4175239 1 6.60
CHEMBL4164621 1 6.50
CHEMBL4173001 1 5.90
CHEMBL310555 OXYQUINOLINE -1.0 1 5.80
CHEMBL4163083 1 5.40
CHEMBL4165800 1 -
CHEMBL4162599 1 -
CHEMBL4173789 1 -
CHEMBL4176829 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4174978 IC50 = 1.995 nM 8.70
CHEMBL4167128 IC50 = 1.995 nM 8.70
CHEMBL4170443 IC50 = 3.162 nM 8.50
CHEMBL4172614 IC50 = 3.981 nM 8.40
CHEMBL4171117 IC50 = 3.981 nM 8.40
CHEMBL4169861 IC50 = 6.31 nM 8.20
CHEMBL4177089 IC50 = 6.31 nM 8.20
CHEMBL4160303 IC50 = 7.943 nM 8.10
CHEMBL4163421 IC50 = 10.0 nM 8.00
CHEMBL4174102 IC50 = 19.95 nM 7.70
CHEMBL4174117 IC50 = 19.95 nM 7.70
CHEMBL4176008 IC50 = 19.95 nM 7.70
CHEMBL4162990 IC50 = 50.12 nM 7.30
CHEMBL4166574 IC50 = 63.1 nM 7.20
CHEMBL4176890 IC50 = 79.43 nM 7.10
CHEMBL4174751 IC50 = 199.53 nM 6.70
CHEMBL4175239 IC50 = 251.19 nM 6.60
CHEMBL4164621 IC50 = 316.23 nM 6.50
CHEMBL4173001 IC50 = 1258.93 nM 5.90
CHEMBL310555 OXYQUINOLINE IC50 = 1584.89 nM 5.80
CHEMBL4163083 IC50 = 3981.07 nM 5.40
CHEMBL4165800 IC50 > 10000.0 nM -
CHEMBL4162599 IC50 > 10000.0 nM -
CHEMBL4173789 IC50 > 10000.0 nM -
CHEMBL4176829 IC50 > 10000.0 nM -