Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid
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 PubChem ID
CID: 3651377
SID: 14858675
Canonical SMILES
CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
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Compound Formula C27H34ClNO2S
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
CL000068 A-549
 Cell Line Info 
Homo sapiens (Human)  4
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS
2
IC50 = 2100 nM
   TI
   LI
   LO
   TS
3
IC50 = 2400 nM
   TI
   LI
   LO
   TS
4
IC50 = 2500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1300 nM
2 IC50 = 1600 nM
3 IC50 = 2400 nM
4 IC50 = 3900 nM