Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[5-[4-[4-[2-(3-cyanophenyl)-1,3-dioxo-4,6,7-triphenylisoindol-5-yl]phenyl]sulfanylphenyl]-1,3-dioxo-4,6,7-triphenylinden-2-yl]benzonitrile
    Show/Hide
 PubChem ID
CID: 137649316
Canonical SMILES
O=C1C(C(=O)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccc(Sc3ccc(cc3)-c3c(c4C(=O)N(C(=O)c4c(-c4ccccc4)c3-c3ccccc3)c3cccc(c3)C#N)-c3ccccc3)cc1)c2-c1ccccc1)c1cccc(c1)C#N
    Show/Hide
Compound Formula C79H47N3O4S
Compound Structure
Protein Name
 Protein Info 
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
CL000131 HEK293-F
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 439 nM
   TI
   LI
   LO
   TS