Target
Beta-secretase 1
Ligand
BDBM50397708
Substrate
n/a
Meas. Tech.
ChEMBL_874114 (CHEMBL2187055)
IC50
1.9±n/a nM
Citation
 Dineen, TAWeiss, MMWilliamson, TActon, PBabu-Khan, SBartberger, MDBrown, JChen, KCheng, YCitron, MCroghan, MDDunn, RTEsmay, JGraceffa, RFHarried, SSHickman, DHitchcock, SAHorne, DBHuang, HImbeah-Ampiah, RJudd, TKaller, MRKreiman, CRLa, DSLi, VLopez, PLouie, SMonenschein, HNguyen, TTPennington, LDSan Miguel, TSickmier, EAVargas, HMWahl, RCWen, PHWhittington, DAWood, SXue, QYang, BHPatel, VFZhong, W Design and synthesis of potent, orally efficacious hydroxyethylamine derivedß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J Med Chem 55:9025-44 (2012) [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:
BDBM50397708
Synonyms:
CHEMBL2181906
Type:
Small organic molecule
Emp. Form.:
C31H40FN3O4
Mol. Mass.:
537.6654
SMILES:
COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
Structure:
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