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Assay Detail

CHEMBL3873577

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

Binding
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by substrate addition measured after 1 min in presence of GSH
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Prostaglandin E synthase (CHEMBL5658)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of 2-((2-chloro-6-fluorophenyl)amino)-N-(3-fluoro-5-(trifluoromethyl)phenyl)-1-methyl-7,8-dihydro-1H-[1,4]dioxino[2',3':3,4]benzo[1,2-d]imidazole-5-carboxamide as potent, selective and efficacious microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitor.
Muthukaman N, Deshmukh S, Sarode N, Tondlekar S, Tambe M, Pisal D, Shaikh M, Kattige VG, Honnegowda S, Karande V, Kulkarni A, Jadhav SB, Mahat MYA, Gudi GS, Khairatkar-Joshi N, Gharat LA.
Bioorg Med Chem Lett (2016) 26 : 5977 -5984
PubMed 27865703 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 33 7.74 8.72

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL412099 1 8.72
CHEMBL3961834 1 8.49
CHEMBL3916119 1 8.45
CHEMBL3931344 1 8.41
CHEMBL3944077 1 8.38
CHEMBL3926181 1 8.18
CHEMBL3984373 1 8.14
CHEMBL3898125 1 8.10
CHEMBL3897959 1 8.10
CHEMBL3935630 1 8.07
CHEMBL3925606 1 8.04
CHEMBL3895356 1 7.98
CHEMBL3920280 1 7.97
CHEMBL3926203 1 7.96
CHEMBL3932436 1 7.95
CHEMBL3935105 1 7.90
CHEMBL3909776 1 7.87
CHEMBL3949380 1 7.83
CHEMBL3987179 1 7.82
CHEMBL3891935 1 7.79
CHEMBL3956753 1 7.73
CHEMBL3955759 1 7.68
CHEMBL3918689 1 7.65
CHEMBL3908580 1 7.33
CHEMBL3961512 1 7.31
CHEMBL3934012 1 7.15
CHEMBL3976312 1 7.15
CHEMBL3925125 1 7.14
CHEMBL3952826 1 7.11
CHEMBL3947032 1 6.99

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL412099 IC50 = 1.9 nM 8.72
CHEMBL3961834 IC50 = 3.2 nM 8.49
CHEMBL3916119 IC50 = 3.56 nM 8.45
CHEMBL3931344 IC50 = 3.9 nM 8.41
CHEMBL3944077 IC50 = 4.19 nM 8.38
CHEMBL3926181 IC50 = 6.59 nM 8.18
CHEMBL3984373 IC50 = 7.2 nM 8.14
CHEMBL3898125 IC50 = 7.99 nM 8.10
CHEMBL3897959 IC50 = 8.0 nM 8.10
CHEMBL3935630 IC50 = 8.5 nM 8.07
CHEMBL3925606 IC50 = 9.09 nM 8.04
CHEMBL3895356 IC50 = 10.41 nM 7.98
CHEMBL3920280 IC50 = 10.79 nM 7.97
CHEMBL3926203 IC50 = 11.04 nM 7.96
CHEMBL3932436 IC50 = 11.3 nM 7.95
CHEMBL3935105 IC50 = 12.53 nM 7.90
CHEMBL3909776 IC50 = 13.4 nM 7.87
CHEMBL3949380 IC50 = 14.65 nM 7.83
CHEMBL3987179 IC50 = 15.25 nM 7.82
CHEMBL3891935 IC50 = 16.4 nM 7.79
CHEMBL3956753 IC50 = 18.66 nM 7.73
CHEMBL3955759 IC50 = 20.69 nM 7.68
CHEMBL3918689 IC50 = 22.5 nM 7.65
CHEMBL3908580 IC50 = 46.6 nM 7.33
CHEMBL3961512 IC50 = 49.47 nM 7.31
CHEMBL3934012 IC50 = 70.85 nM 7.15
CHEMBL3976312 IC50 = 70.96 nM 7.15
CHEMBL3925125 IC50 = 71.82 nM 7.14
CHEMBL3952826 IC50 = 77.55 nM 7.11
CHEMBL3947032 IC50 = 103.3 nM 6.99
CHEMBL3929200 IC50 = 141.2 nM 6.85
CHEMBL3900544 IC50 = 154.2 nM 6.81
CHEMBL3971684 IC50 = 415.1 nM 6.38