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Assay Detail

CHEMBL879226

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Binding
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)
ChEMBL ↗
50
Total Activities
50
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 (CHEMBL4321) ↗
Type SINGLE PROTEIN
Organism Mus musculus

Publication

Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.
Liu H, Huang X, Shen J, Luo X, Li M, Xiong B, Chen G, Shen J, Yang Y, Jiang H, Chen K.
J Med Chem (2002) 45 : 4816 -4827
PubMed 12383007 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 50 6.61 8.43

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL28913 — — 1 8.43
CHEMBL280636 — — 1 8.28
CHEMBL29899 — — 1 8.24
CHEMBL29839 — — 1 8.10
CHEMBL283178 — — 1 8.05
CHEMBL29887 — — 1 8.03
CHEMBL29840 — — 1 8.00
CHEMBL282093 — — 1 8.00
CHEMBL29717 — — 1 7.82
CHEMBL29439 — — 1 7.80
CHEMBL282839 — — 1 7.68
CHEMBL287646 — — 1 7.68
CHEMBL29133 — — 1 7.66
CHEMBL283177 — — 1 7.59
CHEMBL286953 — — 1 7.57
CHEMBL30084 — — 1 7.57
CHEMBL29083 — — 1 7.55
CHEMBL29424 — — 1 7.54
CHEMBL29920 — — 1 7.50
CHEMBL118 CELECOXIB 4.0 1 7.40
CHEMBL28527 MAVACOXIB 2.0 1 7.39
CHEMBL29533 — — 1 7.25
CHEMBL418574 — — 1 7.24
CHEMBL28599 — — 1 7.16
CHEMBL28528 — — 1 7.12
CHEMBL29842 — — 1 7.10
CHEMBL30091 — — 1 7.08
CHEMBL29923 — — 1 6.96
CHEMBL283038 — — 1 6.92
CHEMBL29445 — — 1 6.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL28913 — IC50 = 3.715 nM 8.43
CHEMBL280636 — IC50 = 5.248 nM 8.28
CHEMBL29899 — IC50 = 5.754 nM 8.24
CHEMBL29839 — IC50 = 7.943 nM 8.10
CHEMBL283178 — IC50 = 8.913 nM 8.05
CHEMBL29887 — IC50 = 9.333 nM 8.03
CHEMBL29840 — IC50 = 10.0 nM 8.00
CHEMBL282093 — IC50 = 10.0 nM 8.00
CHEMBL29717 — IC50 = 15.14 nM 7.82
CHEMBL29439 — IC50 = 15.85 nM 7.80
CHEMBL282839 — IC50 = 20.89 nM 7.68
CHEMBL287646 — IC50 = 20.89 nM 7.68
CHEMBL29133 — IC50 = 21.88 nM 7.66
CHEMBL283177 — IC50 = 25.7 nM 7.59
CHEMBL30084 — IC50 = 26.92 nM 7.57
CHEMBL286953 — IC50 = 26.92 nM 7.57
CHEMBL29083 — IC50 = 28.18 nM 7.55
CHEMBL29424 — IC50 = 28.84 nM 7.54
CHEMBL29920 — IC50 = 31.62 nM 7.50
CHEMBL118 CELECOXIB IC50 = 39.81 nM 7.40
CHEMBL28527 MAVACOXIB IC50 = 40.74 nM 7.39
CHEMBL29533 — IC50 = 56.23 nM 7.25
CHEMBL418574 — IC50 = 57.54 nM 7.24
CHEMBL28599 — IC50 = 69.18 nM 7.16
CHEMBL28528 — IC50 = 75.86 nM 7.12
CHEMBL29842 — IC50 = 79.43 nM 7.10
CHEMBL30091 — IC50 = 83.18 nM 7.08
CHEMBL29923 — IC50 = 109.65 nM 6.96
CHEMBL283038 — IC50 = 120.23 nM 6.92
CHEMBL29445 — IC50 = 128.82 nM 6.89
CHEMBL28491 — IC50 = 158.49 nM 6.80
CHEMBL29942 — IC50 = 288.4 nM 6.54
CHEMBL29136 — IC50 = 338.84 nM 6.47
CHEMBL29456 — IC50 = 346.74 nM 6.46
CHEMBL282360 — IC50 = 602.56 nM 6.22
CHEMBL287170 — IC50 = 1096.48 nM 5.96
CHEMBL28664 — IC50 = 2630.27 nM 5.58
CHEMBL29847 — IC50 = 3311.31 nM 5.48
CHEMBL743 CARBOXYLIC ACID METABOLITE OF CELECOXIB IC50 = 11220.18 nM 4.95
CHEMBL27733 — IC50 = 14454.4 nM 4.84
CHEMBL281001 — IC50 = 19952.62 nM 4.70
CHEMBL28487 — IC50 = 29512.09 nM 4.53
CHEMBL281504 — IC50 = 29512.09 nM 4.53
CHEMBL406140 — IC50 = 44668.36 nM 4.35
CHEMBL29075 — IC50 = 45708.82 nM 4.34
CHEMBL280573 — IC50 = 46773.51 nM 4.33
CHEMBL440798 — IC50 = 46773.51 nM 4.33
CHEMBL29492 — IC50 = 63095.73 nM 4.20
CHEMBL283425 — IC50 = 64565.42 nM 4.19
CHEMBL745 PRIMARY ALCOHOL METABOLITE OF CELECOXIB IC50 = 93325.43 nM 4.03