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Target
Beta-secretase 1
Ligand
BDBM16042
Substrate
n/a
Meas. Tech.
ChEMBL_874484 (CHEMBL2184807)
Kd
25000±n/a nM
Citation
 Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Spirocyclic sulfamides asß-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J Med Chem 55:9224-39 (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:
BDBM16042
Synonyms:
5-{[(5-aminopentyl)carbamoyl]methoxy}-3-N-[(1R)-1-phenylethyl]-1-N,1-N-bis(prop-2-en-1-yl)benzene-1,3-dicarboxamide | oxyacetamide 1
Type:
Small organic molecule
Emp. Form.:
C29H38N4O4
Mol. Mass.:
506.6364
SMILES:
C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(CC=C)CC=C)c1ccccc1 |r|
Structure:
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