Brief Information of the Compound and Protein
Compound Name
(4aS,10R,10aS)-2'-amino-8-(3-methoxyphenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
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PubChem ID
CID: 56947699
SID: 135654271
Canonical SMILES
COc1cccc(c1)-c1ccc2O[C@H]3CCOC[C@@H]3[C@@]3(N=C(N)N(C)C3=O)c2c1
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Compound Formula C22H23N3O4
Compound Structure
Protein Name
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 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 28 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 27 nM
   TI
   LI
   LO
   TS