Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM404014
Substrate
n/a
Meas. Tech.
BACE Assay
IC50
4.30±n/a nM
Citation
Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Inhibitors of beta-secretase US Patent US10336717 Publication Date 7/2/2019
More Info.:
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:
BDBM404014
Synonyms:
US10336717, Compound 305
Type:
Small organic molecule
Emp. Form.:
C26H28N4O3S
Mol. Mass.:
476.591
SMILES:
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3nnc(C)o3)C2=O)C#CC2CC2)CC1 |(5.8,-13.03,;4.32,-13.43,;3.23,-12.34,;2.14,-13.43,;.8,-12.67,;-.74,-12.67,;-1.65,-13.91,;-3.11,-13.44,;-4.44,-14.21,;-5.78,-13.44,;-5.78,-11.9,;-4.44,-11.13,;-3.11,-11.9,;-1.65,-11.42,;-2.55,-10.17,;-1.65,-8.93,;-2.42,-7.59,;-.18,-9.4,;.91,-8.32,;2.4,-8.71,;2.87,-10.18,;4.41,-10.18,;4.89,-8.71,;6.22,-7.94,;3.64,-7.81,;-.18,-10.94,;1.31,-11.34,;-7.11,-11.13,;-8.44,-10.36,;-9.78,-9.59,;-10.55,-8.25,;-11.32,-9.59,;.35,-11.58,;1.69,-12.34,)|