Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[(4aS,10R,10aS)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile
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 PubChem ID
CID: 76321932
Canonical SMILES
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1O[C@H]1CCOC[C@]21C)-c1cccc(c1)C#N
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Compound Formula C23H22N4O3
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 = 29 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6.8 nM
   TI
   LI
   LO
   TS