Brief Information of the Compound and Protein
Compound Name
2-(2-chloro-6-fluoroanilino)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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Canonical SMILES
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c12
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Compound Formula C24H23ClF4N4O3
Compound Structure
Protein Name
Prostaglandin E synthase
Protein Classification
Enzyme
>
Isomerase
Uniprot ID
O14684
Gene Name
PTGES
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 65 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 15.25 nM
   TI
   LI
   LO
   TS