Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-allyl-N-((2S,3R)-1-(3-allylphenyl)-4-((S)-6-ethylspiro[chroman-2,1'-cyclobutane]-4-ylamino)-3-hydroxybutan-2-yl)-5-bromo-6-oxo-1,6-dihydropyridine-3-carboxamide
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 PubChem ID
CID: 73352126
Canonical SMILES
C=CCc1cccc(C[C@H](NC(=O)c2cc(Br)c(=O)n(CC=C)c2)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ccc(CC)cc32)c1
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Compound Formula C36H42BrN3O4
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
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 81 nM