Brief Information of the Compound and Protein
Compound Name
CHEMBL4070299
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PubChem ID
CID: 137638912
Canonical SMILES
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@H](OC)[C@@H](C)C1)-c1cncnc1
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Compound Formula C22H26N4O2
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 16 nM
   TI
   LI
   LO
   TS
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 1.1 nM
   TI
   LI
   LO
   TS