Target
Beta-secretase 1
Ligand
BDBM50061580
Substrate
n/a
Meas. Tech.
ChEMBL_1461646 (CHEMBL3395115)
IC50
0.900000±n/a nM
Citation
 Chen, JJLiu, QYuan, CGore, VLopez, PMa, VAmegadzie, AQian, WJudd, TCMinatti, AEBrown, JCheng, YXue, MZhong, WDineen, TAEpstein, OHuman, JKreiman, CMarx, IWeiss, MMHitchcock, SAPowers, TSChen, KWen, PHWhittington, DACheng, ACBartberger, MDHickman, DWerner, JAVargas, HMEverds, NEVonderfecht, SLDunn, RTWood, SFremeau, RTWhite, RDPatel, 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:
BDBM50061580
Synonyms:
CHEMBL3394057
Type:
Small organic molecule
Emp. Form.:
C24H15F2N5O2
Mol. Mass.:
443.405
SMILES:
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Structure:
Search PDB for entries with ligand similarity: