Reaction Details  Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50127409
Substrate
n/a
Meas. Tech.
ChEMBL_41374 (CHEMBL653497)
IC50
40000±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:
BDBM50127409
Synonyms:
4-[(2-{4-[2-(2-Bromo-phenyl)-2-hydroxy-acetylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-methyl]-benzoic acid | CHEMBL49971
Type:
Small organic molecule
Emp. Form.:
C29H38BrN3O7
Mol. Mass.:
620.532
SMILES:
CC(C)C[C@H](NC(=O)C(O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: