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Assay Detail

CHEMBL901401

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

Binding
Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production
31
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Structure-based design, synthesis, and biological evaluation of indomethacin derivatives as cyclooxygenase-2 inhibiting nitric oxide donors.
Wey SJ, Augustyniak ME, Cochran ED, Ellis JL, Fang X, Garvey DS, Janero DR, Letts LG, Martino AM, Melim TL, Murty MG, Richardson SK, Schroeder JD, Selig WM, Trocha AM, Wexler RS, Young DV, Zemtseva IS, Zifcak BM.
J Med Chem (2007) 50 : 6367 -6382
PubMed 17994684 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 5.41 6.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL6 INDOMETHACIN 4.0 1 6.30
CHEMBL393680 1 5.92
CHEMBL237399 1 5.80
CHEMBL235027 1 5.72
CHEMBL237033 1 5.64
CHEMBL24837 1 5.62
CHEMBL399198 1 5.58
CHEMBL295829 OXAMETACIN 2.0 1 5.55
CHEMBL237022 1 5.52
CHEMBL25725 1 5.48
CHEMBL429267 1 5.44
CHEMBL237208 2 5.43
CHEMBL237204 1 5.33
CHEMBL237398 1 5.27
CHEMBL237021 1 5.22
CHEMBL237207 2 4.96
CHEMBL118 CELECOXIB 4.0 1 4.85
CHEMBL800 1 4.81
CHEMBL237400 1 4.80
CHEMBL400428 1 -
CHEMBL237402 1 -
CHEMBL238240 1 -
CHEMBL557174 1 -
CHEMBL237412 1 -
CHEMBL421385 1 -
CHEMBL391223 1 -
CHEMBL237205 1 -
CHEMBL393127 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL6 INDOMETHACIN IC50 = 500.0 nM 6.30
CHEMBL393680 IC50 = 1200.0 nM 5.92
CHEMBL237399 IC50 = 1600.0 nM 5.80
CHEMBL235027 IC50 = 1900.0 nM 5.72
CHEMBL237033 IC50 = 2300.0 nM 5.64
CHEMBL24837 IC50 = 2400.0 nM 5.62
CHEMBL399198 IC50 = 2600.0 nM 5.58
CHEMBL295829 OXAMETACIN IC50 = 2800.0 nM 5.55
CHEMBL237022 IC50 = 3000.0 nM 5.52
CHEMBL25725 IC50 = 3300.0 nM 5.48
CHEMBL429267 IC50 = 3600.0 nM 5.44
CHEMBL237208 IC50 = 3700.0 nM 5.43
CHEMBL237208 IC50 = 3700.0 nM 5.43
CHEMBL237204 IC50 = 4700.0 nM 5.33
CHEMBL237398 IC50 = 5400.0 nM 5.27
CHEMBL237021 IC50 = 6000.0 nM 5.22
CHEMBL237207 IC50 = 11000.0 nM 4.96
CHEMBL237207 IC50 = 11000.0 nM 4.96
CHEMBL118 CELECOXIB IC50 = 14000.0 nM 4.85
CHEMBL800 IC50 = 15600.0 nM 4.81
CHEMBL237400 IC50 = 15900.0 nM 4.80
CHEMBL400428 IC50 > 100000.0 nM -
CHEMBL237402 IC50 > 100000.0 nM -
CHEMBL238240 IC50 < 1000.0 nM -
CHEMBL557174 IC50 > 10000.0 nM -
CHEMBL393127 IC50 < 300.0 nM -
CHEMBL237412 IC50 < 1000.0 nM -
CHEMBL421385 IC50 < 300.0 nM -
CHEMBL391223 IC50 < 1000.0 nM -
CHEMBL237205 IC50 > 100000.0 nM -
CHEMBL393127 IC50 < 300.0 nM -