Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-Ethyl-7,7-dioxo-7,8,9,10-tetrahydro-6H-7lambda*6*-thia-6,10a-diaza-cycloocta[cd]indene-4-carboxylic acid[(1S,2R)-1-benzyl-2-hydroxy-3-(4-methoxy-phenylamino)-propyl]-amide
    Show/Hide
 PubChem ID
CID: 45267880
Canonical SMILES
CCc1cn2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)CNc4ccc(OC)cc4)cc13)NS(=O)(=O)CCC2
    Show/Hide
Compound Formula C31H36N4O5S
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 = 339 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 28 nM