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TargetBeta-secretase 1
LigandBDBM50397697
Substrate/Competitorn/a
Meas. Tech.ChEMBL_874114
IC50 3.2±n/a nM
Citation Dineen, TAWeiss, MMWilliamson, TActon, PBabu-Khan, SBartberger, MDBrown, JChen, KCheng, YCitron, MCroghan, MDDunn, RTEsmay, JGraceffa, RFHarried, SSHickman, DHitchcock, SAHorne, DBHuang, HImbeah-Ampiah, RJudd, TKaller, MRKreiman, CRLa, DSLi, VLopez, PLouie, SMonenschein, HNguyen, TTPennington, LDSan Miguel, TSickmier, EAVargas, HMWahl, RCWen, PHWhittington, DAWood, SXue, QYang, BHPatel, VFZhong, W Design and synthesis of potent, orally efficacious hydroxyethylamine derivedß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J Med Chem55:9025-44 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase (BACE)
Synonyms:ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | 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.:55701.04
Organism:Homo sapiens (Human)
Description:P56817
Residue:501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50397697
NameBDBM50397697
Synonyms:CHEMBL2181917
TypeSmall organic molecule
Emp. Form.C32H42N4O4S
Mol. Mass.578.765
SMILESC[C@@H](O)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a