Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-(3-(3-Amino-1-(1-ethyl-5-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-fluoro-1H-isoindol-1-yl)phenyl)nicotinonitrile
    Show/Hide
 PubChem ID
CID: 57406719
SID: 136952465
Canonical SMILES
CCn1cc(C2(c3cccc(-c4cncc(C#N)c4)c3)N=C(N)c3c(F)cccc32)cc(C)c1=O
    Show/Hide
Compound Formula C28H22FN5O
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 = 1.84 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8.26 nM