Brief Information of the Compound and Protein
Compound Name
N-[N'-[[3-chloro-5-methyl-4-(propanoylamino)phenyl]methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
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PubChem ID
CID: 71453669
SID: 163473048
Canonical SMILES
CCC(=O)Nc1c(C)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)cc1Cl
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Compound Formula C24H26ClN5O4
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)  2
1
IC50 = 780 nM
   TI
   LI
   LO
   TS
2
Ki = 40 nM
   TI
   LI
   LO
   TS