Target
Beta-secretase 1
Ligand
BDBM50012632
Substrate
n/a
Meas. Tech.
ChEMBL_2149724 (CHEMBL5034186)
IC50
239±n/a nM
Citation
 McKinzie, DLWinneroski, LLGreen, SJHembre, EJErickson, JAWillis, BAMonk, SAAluise, CDBaker, TKLopez, JEHendle, JBeck, JPBrier, RABoggs, LNBorders, ARCocke, PJGarcia-Losada, PLowe, SLMathes, BMMay, PCPorter, WJStout, SLTimm, DEWatson, BMYang, ZMergott, DJ Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J Med Chem 64:8076-8100 (2021) [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:
BDBM50012632
Synonyms:
CHEMBL2333941
Type:
Small organic molecule
Emp. Form.:
C15H14F2N4S
Mol. Mass.:
320.36
SMILES:
C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 |r,c:6|
Structure:
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