Brief Information of the Compound and Protein
Compound Name
(12S)-12-[(1R)-2-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.16,10]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione
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PubChem ID
CID: 71581445
Canonical SMILES
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(CCCCn5cc(ccc5=O)C(=O)N3)c4)c2c1
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Compound Formula C34H41N3O4
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 54 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.5 nM