Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(2S,3R)-4-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-(ethylamino)benzamide
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 PubChem ID
CID: 25190493
Canonical SMILES
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCCS1(=O)=O
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Compound Formula C29H40N6O4S
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12 nM
   TI
   LI
   LO
   TS
CL000004 SH-SY5Y
 Cell Line Info 
Homo sapiens (Human)  4
1
IC50 = 72 nM
   TI
   LI
   LO
   TS
2
IC50 = 78 nM
   TI
   LI
   LO
   TS
3
IC50 = 1113 nM
   TI
   LI
   LO
   TS
4
IC50 = 3633 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM