Brief Information of the Compound and Protein
Compound Name
 Compound Info 
BDBM143220
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 PubChem ID
CID: 51352361
SID: 121271204
Canonical SMILES
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
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Compound Formula C17H17F2N5O3S
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 = 4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.4 nM
2 IC50 = 1.9 nM
3 IC50 = 2.2 nM
4 IC50 = 20.7 nM
5 IC50 = 85 nM
6 Ki = 1.753 nM
7 Ki = 2 nM
8 Ki = 2.2 nM
9 Ki = 4.88 nM