Brief Information of the Compound and Protein
Compound Name
CHEMBL3956753
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Canonical SMILES
Cc1cccc(Cl)c1Nc1nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c2[nH]1
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Compound Formula C24H24ClF3N4O3
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 = 128.6 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 18.66 nM
   TI
   LI
   LO
   TS