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Target
Beta-secretase 1
Ligand
BDBM50457591
Substrate
n/a
Meas. Tech.
ChEMBL_1760190 (CHEMBL4195198)
IC50
110±n/a nM
Citation
 Fuchino, K; Mitsuoka, Y; Masui, M; Kurose, N; Yoshida, S; Komano, K; Yamamoto, T; Ogawa, M; Unemura, C; Hosono, M; Ito, H; Sakaguchi, G; Ando, S; Ohnishi, S; Kido, Y; Fukushima, T; Miyajima, H; Hiroyama, S; Koyabu, K; Dhuyvetter, D; Borghys, H; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI Rational Design of Novel 1,3-Oxazine Based ?-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A? Reduction in the Brain. J Med Chem 61:5122-5137 (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:
BDBM50457591
Synonyms:
CHEMBL4216412
Type:
Small organic molecule
Emp. Form.:
C20H16F3N5O2
Mol. Mass.:
415.3685
SMILES:
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(OC(N)=N1)C(F)F)C#N |r,c:21,25|
Structure:
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