Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US8637504, 59
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 PubChem ID
CID: 68254150
Canonical SMILES
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
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Compound Formula C18H13ClFN5OS
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
CL000004 SH-SY5Y
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19 nM