Brief Information of the Compound and Protein
Compound Name
5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-thiophene
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PubChem ID
CID: 3177
SID: 14928864
Canonical SMILES
CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
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Compound Formula C17H12BrFO2S2
Compound Structure
Protein Name
Prostaglandin G/H synthase 1
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P23219
Gene Name
PTGS1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 59 nM
   TI
   LI
   LO
   TS
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
IC50 = 870 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 600 nM
   TI
   LI
   LO
   TS
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 800 nM
2 IC50 = 810 nM
3 IC50 > 10000 nM