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Assay Detail

CHEMBL3873579

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

Binding
Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated followed by LPS stimulation for 20 to 24 hrs
9
Total Activities
9
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 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 9 6.16 6.60

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3897959 1 6.60
CHEMBL3916119 1 6.56
CHEMBL3987179 1 6.27
CHEMBL3926203 1 6.20
CHEMBL3984373 1 6.08
CHEMBL3895356 1 6.02
CHEMBL3925606 1 5.95
CHEMBL412099 1 5.87
CHEMBL3898125 1 5.86

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3897959 IC50 = 249.9 nM 6.60
CHEMBL3916119 IC50 = 277.3 nM 6.56
CHEMBL3987179 IC50 = 541.9 nM 6.27
CHEMBL3926203 IC50 = 632.5 nM 6.20
CHEMBL3984373 IC50 = 835.0 nM 6.08
CHEMBL3895356 IC50 = 959.6 nM 6.02
CHEMBL3925606 IC50 = 1127.0 nM 5.95
CHEMBL412099 IC50 = 1360.0 nM 5.87
CHEMBL3898125 IC50 = 1388.0 nM 5.86