Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide
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 PubChem ID
CID: 9916309
SID: 14886793
Canonical SMILES
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1
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Compound Formula C33H41F2N3O4
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 80 nM
   TI
   LI
   LO
   TS
CL000028 PC-12
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM
2 IC50 = 31 nM