Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-[3-amino-4-fluoro-1-(3-pyrimidin-5-ylphenyl)isoindol-1-yl]-2-methoxy-3-methylbenzonitrile
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 PubChem ID
CID: 46203391
SID: 96057471
Canonical SMILES
COc1c(C)cc(cc1C#N)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1
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Compound Formula C27H20FN5O
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 = 3.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 41.7 nM