Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-Ethyl-6-methyl-7,7-dioxo-6,7,8,9-tetrahydro-2H-7lambda*6*-thia-2,6-diaza-benzo[cd]azulene-4-carboxylic acid [(S)-1-benzyl-2-oxo-3-(tetrahydro-pyran-4-ylamino)-propyl]-amide
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 PubChem ID
CID: 11664850
Canonical SMILES
CCn1cc2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)C(=O)CNC4CCOCC4)cc31)N(C)S(=O)(=O)CC2
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Compound Formula C29H36N4O5S
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 = 48 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM