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Assay Detail

CHEMBL1059941

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

Binding
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 hr before arachidonic acid challenge by enzyme immunoassay
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Identification of [4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinyl] amines and ethers as potent and selective cyclooxygenase-2 inhibitors.
Swarbrick ME, Beswick PJ, Gleave RJ, Green RH, Bingham S, Bountra C, Carter MC, Chambers LJ, Chessell IP, Clayton NM, Collins SD, Corfield JA, Hartley CD, Kleanthous S, Lambeth PF, Lucas FS, Mathews N, Naylor A, Page LW, Payne JJ, Pegg NA, Price HS, Skidmore J, Stevens AJ, Stocker R, Stratton SC, Stuart AJ, Wiseman JO.
Bioorg Med Chem Lett (2009) 19 : 4504 -4508
PubMed 19520573 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 7.97 9.60

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL551829 1 9.60
CHEMBL551148 1 9.55
CHEMBL561891 1 9.30
CHEMBL549393 1 8.89
CHEMBL539663 1 8.70
CHEMBL561609 1 8.62
CHEMBL559613 1 8.52
CHEMBL558728 1 8.30
CHEMBL563322 1 8.30
CHEMBL561950 1 8.25
CHEMBL561086 1 8.14
CHEMBL560887 1 7.96
CHEMBL560284 1 7.80
CHEMBL559886 1 7.75
CHEMBL550473 1 7.54
CHEMBL122 ROFECOXIB 4.0 1 7.50
CHEMBL118 CELECOXIB 4.0 1 7.17
CHEMBL865 VALDECOXIB 4.0 1 6.74
CHEMBL558727 1 6.57
CHEMBL416146 ETORICOXIB 4.0 1 6.46
CHEMBL540166 1 5.77
CHEMBL563759 1 -
CHEMBL563262 1 -
CHEMBL570773 1 -
CHEMBL551830 1 -
CHEMBL549927 1 -
CHEMBL557874 1 -
CHEMBL560285 1 -
CHEMBL538418 1 -
CHEMBL559812 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL551829 IC50 = 0.25 nM 9.60
CHEMBL551148 IC50 = 0.28 nM 9.55
CHEMBL561891 IC50 = 0.5 nM 9.30
CHEMBL549393 IC50 = 1.3 nM 8.89
CHEMBL539663 IC50 = 2.0 nM 8.70
CHEMBL561609 IC50 = 2.4 nM 8.62
CHEMBL559613 IC50 = 3.0 nM 8.52
CHEMBL558728 IC50 = 5.0 nM 8.30
CHEMBL563322 IC50 = 5.0 nM 8.30
CHEMBL561950 IC50 = 5.6 nM 8.25
CHEMBL561086 IC50 = 7.2 nM 8.14
CHEMBL560887 IC50 = 11.0 nM 7.96
CHEMBL560284 IC50 = 16.0 nM 7.80
CHEMBL559886 IC50 = 18.0 nM 7.75
CHEMBL550473 IC50 = 29.0 nM 7.54
CHEMBL122 ROFECOXIB IC50 = 32.0 nM 7.50
CHEMBL118 CELECOXIB IC50 = 68.0 nM 7.17
CHEMBL865 VALDECOXIB IC50 = 183.0 nM 6.74
CHEMBL558727 IC50 = 272.0 nM 6.57
CHEMBL416146 ETORICOXIB IC50 = 347.0 nM 6.46
CHEMBL540166 IC50 = 1683.0 nM 5.77
CHEMBL563759 IC50 > 10000.0 nM -
CHEMBL563262 IC50 > 10000.0 nM -
CHEMBL570773 IC50 > 10000.0 nM -
CHEMBL551830 IC50 < 10.0 nM -
CHEMBL549927 IC50 > 10000.0 nM -
CHEMBL557874 IC50 > 10000.0 nM -
CHEMBL560285 IC50 > 10000.0 nM -
CHEMBL538418 IC50 < 1.4 nM -
CHEMBL559812 IC50 > 10000.0 nM -
CHEMBL549519 IC50 > 10000.0 nM -