Reaction Details Report a problem with these data
Target
Isoform D of Beta-secretase 1 (BACE-I-432)
Ligand
BDBM223398
Substrate
n/a
Meas. Tech.
BACE1 Cell-Free Assay
pH
4.5±n/a
Temperature
310.15±n/a K
IC50
3±n/a nM
Comments
extracted
Citation
Brodney, MA; Beck, EM; Butler, CR; Zhang, L; O'Neill, BT; Barreiro, G; LaChapelle, EA; Rogers, BN 2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides US Patent US9315520 Publication Date 4/19/2016
More Info.:
Target
Name:
Isoform D of Beta-secretase 1 (BACE-I-432)
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE-I-432) | Beta-secretase 1 (BACE1) | KIAA1149
Type:
Protein
Mol. Mass.:
48152.67
Organism:
Homo sapiens (Human)
Description:
P56817-4
Residue:
432
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK
Inhibitor
Name:
BDBM223398
Synonyms:
US9315520, Comparator 2 | US9315520, Comparator 3 | US9605007, Comparator 2 | US9744173, Comparator 2
Type:
Small organic molecule
Emp. Form.:
C20H20F3N5O3S
Mol. Mass.:
467.465
SMILES:
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|