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Target
Beta-secretase 1
Ligand
BDBM50061584
Substrate
n/a
Meas. Tech.
ChEMBL_1461645 (CHEMBL3395114)
IC50
8.7±n/a nM
Citation
 Chen, JJ; Liu, Q; Yuan, C; Gore, V; Lopez, P; Ma, V; Amegadzie, A; Qian, W; Judd, TC; Minatti, AE; Brown, J; Cheng, Y; Xue, M; Zhong, W; Dineen, TA; Epstein, O; Human, J; Kreiman, C; Marx, I; Weiss, MM; Hitchcock, SA; Powers, TS; Chen, K; Wen, PH; Whittington, DA; Cheng, AC; Bartberger, MD; Hickman, D; Werner, JA; Vargas, HM; Everds, NE; Vonderfecht, SL; Dunn, RT; Wood, S; Fremeau, RT; White, RD; Patel, VF Development of 2-aminooxazoline 3-azaxanthenes as orally efficaciousß-secretase inhibitors for the potential treatment of Alzheimer's disease. Bioorg Med Chem Lett 25:767-74 (2015) [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:
BDBM50061584
Synonyms:
CHEMBL3394048
Type:
Small organic molecule
Emp. Form.:
C24H20F3N5O2
Mol. Mass.:
467.4431
SMILES:
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
Structure:
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