Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(12S)-12-[(1R)-2-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1^{6,10}]icosa-6,8,10(20),15(19),16-pentaene-14,18-dione
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 PubChem ID
CID: 73356659
Canonical SMILES
CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2
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Compound Formula C36H46N4O4
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 = 5.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9.7 nM