Target
Beta-secretase 1
Ligand
BDBM50033405
Substrate
n/a
Meas. Tech.
ChEMBL_1434320 (CHEMBL3386424)
IC50
37±n/a nM
Citation
 Thomas, AAHunt, KWNewhouse, BWatts, RJLiu, XVigers, GSmith, DRhodes, SPBrown, KDOtten, JNBurkard, MCox, AAGeck Do, MKDutcher, DRana, SDeLisle, RKRegal, KWright, ADGroneberg, RLiao, JScearce-Levie, KSiu, MPurkey, HELyssikatos, JP 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors. J Med Chem 57:10112-29 (2014) [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:
BDBM50033405
Synonyms:
CHEMBL3357659
Type:
Small organic molecule
Emp. Form.:
C21H21FN4O3
Mol. Mass.:
396.4148
SMILES:
[H][C@@]12OCCC[C@@]1(C)Oc1ccc(cc1[C@]21N=C(N)N(C)C1=O)-c1cccnc1F |r,t:19|
Structure:
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