Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US8940748, 34
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 PubChem ID
CID: 51039270
SID: 117699783
Canonical SMILES
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
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Compound Formula C17H17ClFN5O3S
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 < 0.54 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.9 nM
2 IC50 < 2.2 nM
3 Ki = 0.949 nM