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Assay Detail

CHEMBL4810364

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

ADMET
Inhibition of COX1 (unknown origin) expressed in HEK293 TRex cells assessed as reduction in PGE2 production using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 1 hr in presence of 10% FBS by RapidFire High-Throughput Mass Spectrometry
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Cell Type HEK293-T-REx
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Prostaglandin G/H synthase 1 (CHEMBL221)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Gut-Restricted Selective Cyclooxygenase-2 (COX-2) Inhibitors for Chemoprevention of Colorectal Cancer.
Zhang Z, Ghosh A, Connolly PJ, King P, Wilde T, Wang J, Dong Y, Li X, Liao D, Chen H, Tian G, Suarez J, Bonnette WG, Pande V, Diloreto KA, Shi Y, Patel S, Pietrak B, Szewczuk L, Sensenhauser C, Dallas S, Edwards JP, Bachman KE, Evans DC.
J Med Chem (2021) 64 : 11570 -11596
PubMed 34279934 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 5.69 6.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4868446 1 6.89
CHEMBL118 CELECOXIB 4.0 1 6.39
CHEMBL4867038 1 6.29
CHEMBL4851236 1 5.61
CHEMBL4870684 1 5.11
CHEMBL4865464 1 4.85
CHEMBL4859571 1 4.66
CHEMBL416146 ETORICOXIB 4.0 1 -
CHEMBL49319 1 -
CHEMBL4866615 1 -
CHEMBL4848190 1 -
CHEMBL4864897 1 -
CHEMBL4866509 1 -
CHEMBL4848265 1 -
CHEMBL4862802 1 -
CHEMBL4867405 1 -
CHEMBL4856126 1 -
CHEMBL4877517 1 -
CHEMBL4879174 1 -
CHEMBL4873184 1 -
CHEMBL4870569 1 -
CHEMBL4857474 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4868446 IC50 = 130.0 nM 6.89
CHEMBL118 CELECOXIB IC50 = 410.0 nM 6.39
CHEMBL4867038 IC50 = 511.0 nM 6.29
CHEMBL4851236 IC50 = 2460.0 nM 5.61
CHEMBL4870684 IC50 = 7690.0 nM 5.11
CHEMBL4865464 IC50 = 14100.0 nM 4.85
CHEMBL4859571 IC50 = 21800.0 nM 4.66
CHEMBL416146 ETORICOXIB IC50 > 50000.0 nM -
CHEMBL49319 IC50 > 50000.0 nM -
CHEMBL4866615 IC50 > 50000.0 nM -
CHEMBL4848190 IC50 > 50000.0 nM -
CHEMBL4864897 IC50 > 50000.0 nM -
CHEMBL4866509 IC50 > 50000.0 nM -
CHEMBL4848265 IC50 > 50000.0 nM -
CHEMBL4862802 IC50 > 50000.0 nM -
CHEMBL4867405 IC50 > 50000.0 nM -
CHEMBL4856126 IC50 > 50000.0 nM -
CHEMBL4877517 IC50 > 50000.0 nM -
CHEMBL4879174 IC50 > 50000.0 nM -
CHEMBL4873184 IC50 > 50000.0 nM -
CHEMBL4870569 IC50 > 50000.0 nM -
CHEMBL4857474 IC50 > 50000.0 nM -