Brief Information of the Compound and Protein
Compound Name
US10112931, Example 466
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PubChem ID
CID: 90415637
Canonical SMILES
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1
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Compound Formula C23H22F4N6O2
Compound Structure
Protein Name
Isocitrate dehydrogenase [NADP], mitochondrial
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P48735
Gene Name
IDH2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  2
1
IC50 = 3800 nM
   TI
   LI
   LO
   TS
2
IC50 = 10000 nM
   TI
   LI
   LO
   TS