Ki Summary

Reaction Details

Report a problem with these data

Target

Isoform C of Beta-secretase 1 (BACE-I-457)

Ligand

BDBM113409

Substrate/Competitor

n/a

Meas. Tech.

BACE Assay

IC50

12±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 US8633212 Publication Date 1/21/2014

More Info.:

Get all data from this article, Assay Method

Isoform C of Beta-secretase 1 (BACE-I-457)

Name:

Isoform C of Beta-secretase 1 (BACE-I-457)

Synonyms:

Type:

Enzyme

Mol. Mass.:

51006.30

Organism:

Homo sapiens (Human)

Description:

P56817-3

Residue:

457

Sequence:

MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQ
SEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYD
KSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVI
SLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYV
VFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAA
ICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK

BDBM113409

n/a

Name

BDBM113409

Synonyms:

US10336717, Compound 599 | US8633212, 599 | US9212153, 599

Type

Small organic molecule

Emp. Form.

C24H35N3O3

Mol. Mass.

413.553

SMILES

CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.71,;7.11,-2.37,;5.57,-2.37,;4.8,-1.04,;3.26,-1.04,;2.49,-2.37,;1.59,-3.62,;.12,-3.14,;-1.21,-3.91,;-2.55,-3.14,;-2.55,-1.6,;-3.88,-.83,;-5.21,-1.6,;-6.55,-.83,;-7.88,-1.6,;-6.55,.71,;-1.21,-.83,;.12,-1.6,;1.59,-1.13,;.34,-.22,;.82,1.24,;.05,2.58,;2.36,1.24,;3.13,2.58,;2.36,3.91,;4.67,2.58,;2.83,-.22,;4.37,-.22,;3.26,-3.71,;4.8,-3.71,)|

Structure