Brief Information of the Compound and Protein
Compound Name
4-[(7-chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
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PubChem ID
CID: 160776
SID: 22395614
Canonical SMILES
Oc1c(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1
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Compound Formula C25H29ClN4O
Compound Structure
Protein Name
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 Homo sapiens (Human)  2
1
IC50 = 5100 nM
   TI
   LI
   LO
   TS
2
IC50 = 11200 nM
   TI
   LI
   LO
   TS