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Target
Beta-secretase 1
Ligand
BDBM223332
Substrate
n/a
Meas. Tech.
ChEMBL_1748606 (CHEMBL4183116)
IC50
0.014000±n/a nM
Citation
 O'Neill, BT; Beck, EM; Butler, CR; Nolan, CE; Gonzales, C; Zhang, L; Doran, SD; Lapham, K; Buzon, LM; Dutra, JK; Barreiro, G; Hou, X; Martinez-Alsina, LA; Rogers, BN; Villalobos, A; Murray, JC; Ogilvie, K; LaChapelle, EA; Chang, C; Lanyon, LF; Steppan, CM; Robshaw, A; Hales, K; Boucher, GG; Pandher, K; Houle, C; Ambroise, CW; Karanian, D; Riddell, D; Bales, KR; Brodney, MA Design and Synthesis of Clinical Candidate PF-06751979: A Potent, Brain Penetrant, ?-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor Lacking Hypopigmentation. J Med Chem 61:4476-4504 (2018) [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:
BDBM223332
Synonyms:
US9315520, 19 | US9605007, Example 19 | US9744173, Example 19
Type:
Small organic molecule
Emp. Form.:
C18H21N5O3S2
Mol. Mass.:
419.521
SMILES:
COc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
Structure:
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