Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)-N-(3-piperidin-1-ylpropyl)aniline
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 PubChem ID
CID: 145979423
Canonical SMILES
CN(C)Cc1ccn(c1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1
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Compound Formula C28H45N5O
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)  2
1
IC50 = 5000 nM
   TI
   LI
   LO
   TS
2
IC50 = 6500 nM
   TI
   LI
   LO
   TS