Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US9315520, 17
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 PubChem ID
CID: 118435560
Canonical SMILES
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)cs1
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Compound Formula C18H18F3N5O2S2
Compound Structure
Protein Name
 Protein Info 
Beta-secretase 1
Protein Classification
Enzyme
>
Protease
>
Aspartic protease
>
Aspartic protease AA clan
>
Aspartic protease A1A subfamily
Uniprot ID
P56817
Gene Name
BACE1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 4.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 60.2 nM