Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-[(1R)-3-amino-1-[3-(2-cyclopropylethynyl)phenyl]-4-fluoroisoindol-1-yl]-1-ethyl-3-methylpyridin-2-one
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 PubChem ID
CID: 71449970
SID: 163472330
Canonical SMILES
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)C#CC1CC1
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Compound Formula C27H24FN3O
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
CL000004 SH-SY5Y
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 0.76 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6.08 nM