Brief Information of the Compound and Protein
Compound Name
1,2-diphenylethane-1,2-dione
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PubChem ID
CID: 8651
SID: 15463558
Canonical SMILES
O=C(C(=O)c1ccccc1)c1ccccc1
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Compound Formula C14H10O2
Compound Structure
Protein Name
Cocaine esterase
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
O00748
Gene Name
CES2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 14.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 38 nM
2 IC50 = 44 nM
3 Ki = 14.7 nM
4 Ki = 15 nM
5 Ki = 15.1 nM
6 Ki = 24 nM
7 Ki = 45 nM
8 Ki = 175 nM