Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-Ethyl-7-methyl-8,8-dioxo-2,3,6a,7,8,9,10,10b-octahydro-1H-8lambda*6*-thia-3,7,10a-triaza-cyclohepta[de]naphthalene-5-carboxylic acid[(1S,2R)-1-benzyl-2-hydroxy-3-(3-trifluoromethyl-benzylamino)-propyl]-amide
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 PubChem ID
CID: 122197443
Canonical SMILES
CCN1CCN2CCS(=O)(=O)N(C)c3cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)CNCc4cccc(C(F)(F)F)c4)cc1c32
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Compound Formula C32H38F3N5O4S
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 = 84 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 26 nM