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Target
Beta-secretase 1
Ligand
BDBM50432496
Substrate
n/a
Meas. Tech.
ChEMBL_954243 (CHEMBL2352293)
IC50
2864±n/a nM
Citation
 Hunt, KW; Cook, AW; Watts, RJ; Clark, CT; Vigers, G; Smith, D; Metcalf, AT; Gunawardana, IW; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Thomas, AA; Rana, S; Kallan, NC; DeLisle, RK; Rizzi, JP; Regal, K; Sammond, D; Groneberg, R; Siu, M; Purkey, H; Lyssikatos, JP; Marlow, A; Liu, X; Tang, TP Spirocyclicß-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloidß in a higher species. J Med Chem 56:3379-403 (2013) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50432496
Synonyms:
CHEMBL2349492
Type:
Small organic molecule
Emp. Form.:
C23H27N3O3
Mol. Mass.:
393.4788
SMILES:
CC(C)Oc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:21|
Structure:
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