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Target
Beta-secretase 1
Ligand
BDBM50318126
Substrate
n/a
Meas. Tech.
ChEMBL_632139 (CHEMBL1103873)
IC50
660±n/a nM
Citation
 Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Macrocyclic BACE inhibitors: Optimization of a micromolar hit to nanomolar leads. Bioorg Med Chem Lett 20:3158-60 (2010) [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:
BDBM50318126
Synonyms:
(15R)-17-amino-11,15-dicyclohexyl-2-oxa-11,16,18-triazatetracyclo[14.5.3.1^{3,7}.0^{19,23}]pentacosa-1(22),3(25),4,6,17,19(23),20-heptaen-12-one | CHEMBL1098735
Type:
Small organic molecule
Emp. Form.:
C33H44N4O2
Mol. Mass.:
528.7281
SMILES:
NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
Structure:
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