Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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 PubChem ID
CID: 46202416
SID: 96056467
Canonical SMILES
NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F
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Compound Formula C24H16F3N5
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 = 16.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.6 nM
2 IC50 = 35.1 nM
3 Ki = 25.7 nM