Brief Information of the Compound and Protein
Compound Name
 Compound Info 
MLS002222506
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 PubChem ID
CID: 42628588
Canonical SMILES
CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@H](CCC2=O)C(C)(C)C)cc1
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Compound Formula C27H36N2O2S
Compound Structure
Protein Name
 Protein Info 
Isocitrate dehydrogenase [NADP] cytoplasmic
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
O75874
Gene Name
IDH1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 18356.4 nM
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