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Assay Detail

CHEMBL768957

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

Binding
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Prostaglandin G/H synthase 2 (CHEMBL230)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

New cyclooxygenase-2/5-lipoxygenase inhibitors. 3. 7-tert-butyl-2, 3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: variations at the 5 position.
Janusz JM, Young PA, Ridgeway JM, Scherz MW, Enzweiler K, Wu LI, Gan L, Chen J, Kellstein DE, Green SA, Tulich JL, Rosario-Jansen T, Magrisso IJ, Wehmeyer KR, Kuhlenbeck DL, Eichhold TH, Dobson RL.
J Med Chem (1998) 41 : 3515 -3529
PubMed 9719605 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 25 6.38 8.46

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2112567 1 8.46
CHEMBL332028 1 7.82
CHEMBL419947 1 7.52
CHEMBL117911 1 7.46
CHEMBL332937 1 7.42
CHEMBL119720 1 7.35
CHEMBL118839 1 7.16
CHEMBL13878 TEBUFELONE 2.0 1 7.00
CHEMBL421608 1 6.70
CHEMBL119472 1 6.66
CHEMBL119418 1 6.60
CHEMBL119170 1 6.26
CHEMBL122065 1 6.02
CHEMBL119433 1 6.00
CHEMBL326362 1 5.52
CHEMBL326365 1 5.46
CHEMBL331749 1 5.40
CHEMBL119618 1 5.40
CHEMBL117615 1 5.35
CHEMBL118335 1 5.22
CHEMBL117682 1 5.05
CHEMBL521 IBUPROFEN 4.0 1 4.52
CHEMBL422075 1 -
CHEMBL274893 SC-57666 1 -
CHEMBL326295 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2112567 IC50 = 3.5 nM 8.46
CHEMBL332028 IC50 = 15.0 nM 7.82
CHEMBL419947 IC50 = 30.0 nM 7.52
CHEMBL117911 IC50 = 35.0 nM 7.46
CHEMBL332937 IC50 = 38.0 nM 7.42
CHEMBL119720 IC50 = 45.0 nM 7.35
CHEMBL118839 IC50 = 70.0 nM 7.16
CHEMBL13878 TEBUFELONE IC50 = 100.0 nM 7.00
CHEMBL421608 IC50 = 200.0 nM 6.70
CHEMBL119472 IC50 = 220.0 nM 6.66
CHEMBL119418 IC50 = 250.0 nM 6.60
CHEMBL119170 IC50 = 550.0 nM 6.26
CHEMBL122065 IC50 = 950.0 nM 6.02
CHEMBL119433 IC50 = 1000.0 nM 6.00
CHEMBL326362 IC50 = 3000.0 nM 5.52
CHEMBL326365 IC50 = 3500.0 nM 5.46
CHEMBL331749 IC50 = 4000.0 nM 5.40
CHEMBL119618 IC50 = 4000.0 nM 5.40
CHEMBL117615 IC50 = 4500.0 nM 5.35
CHEMBL118335 IC50 = 6000.0 nM 5.22
CHEMBL117682 IC50 = 9000.0 nM 5.05
CHEMBL521 IBUPROFEN IC50 = 30000.0 nM 4.52
CHEMBL422075 IC50 > 100000.0 nM -
CHEMBL274893 SC-57666 IC50 < 300.0 nM -
CHEMBL326295 IC50 > 100000.0 nM -