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Target
Beta-secretase 1
Ligand
BDBM50280452
Substrate
n/a
Meas. Tech.
ChEMBL_1722008 (CHEMBL4137008)
IC50
12±n/a nM
Citation
 Gijsen, HJM; Alonso de Diego, SA; De Cleyn, M; García-Molina, A; Macdonald, GJ; Martínez-Lamenca, C; Oehlrich, D; Prokopcova, H; Rombouts, FJR; Surkyn, M; Trabanco, AA; Van Brandt, S; Van den Bossche, D; Van Gool, M; Austin, N; Borghys, H; Dhuyvetter, D; Moechars, D Optimization of 1,4-Oxazine ?-Secretase 1 (BACE1) Inhibitors Toward a Clinical Candidate. J Med Chem 61:5292-5303 (2018) [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:
BDBM50280452
Synonyms:
CHEMBL4175845
Type:
Small organic molecule
Emp. Form.:
C18H14F3N5O2
Mol. Mass.:
389.3313
SMILES:
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F |r,t:2|
Structure:
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