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Target
Beta-secretase 1
Ligand
BDBM50212178
Substrate
n/a
Meas. Tech.
ChEMBL_455658 (CHEMBL886441)
IC50
17±n/a nM
Citation
 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg Med Chem Lett 17:4057-61 (2007) [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:
BDBM50212178
Synonyms:
CHEMBL248699 | N-((5R,14R)-5-amino-5-methyl-16-oxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C31H39N3O4S
Mol. Mass.:
549.724
SMILES:
CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
Structure:
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