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Target
Beta-secretase 1
Ligand
BDBM50127412
Substrate
n/a
Meas. Tech.
ChEMBL_41374 (CHEMBL653497)
IC50
>100000±n/a nM
Citation
 Hom, RK; Fang, LY; Mamo, S; Tung, JS; Guinn, AC; Walker, DE; Davis, DL; Gailunas, AF; Thorsett, ED; Sinha, S; Knops, JE; Jewett, NE; Anderson, JP; John, V Design and synthesis of statine-based cell-permeable peptidomimetic inhibitors of human beta-secretase. J Med Chem 46:1799-802 (2003) [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:
BDBM50127412
Synonyms:
(1-{1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-ethyl)-3-methyl-butylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester | CHEMBL299351
Type:
Small organic molecule
Emp. Form.:
C34H58N6O7S
Mol. Mass.:
694.925
SMILES:
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccncc1
Structure:
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