Brief Information of the Compound and Protein
Compound Name
 Compound Info 
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
 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
CL000067 HCT 116
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 24 nM
   TI
   LI
   LO
   TS
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 52.7 nM
   TI
   LI
   LO
   TS
CL000243 MCF-10A
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11 nM
2 IC50 = 18 nM
3 IC50 = 27 nM
4 IC50 = 28 nM
5 IC50 = 6140 nM