Ki Summary

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Target

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

Ligand

BDBM113240

Substrate/Competitor

n/a

Meas. Tech.

Enzyme Assay

4.5±n/a

Temperature

298.15±n/a K

IC50

16.8±n/a nM

Comments

extracted

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

BDBM113240

n/a

Name

BDBM113240

Synonyms:

US10336717, Compound 18 | US8633212, 18 | US9212153, 18

Type

Small organic molecule

Emp. Form.

C22H26N4O2

Mol. Mass.

378.4674

SMILES

COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnc2)CC1 |c:20,(7.77,-3.03,;6.28,-3.42,;5.19,-2.33,;3.86,-3.1,;2.76,-2.02,;1.27,-1.65,;.36,-2.89,;-1.1,-2.42,;-2.43,-3.19,;-3.77,-2.42,;-3.77,-.88,;-2.43,-.11,;-1.1,-.88,;.36,-.4,;1.83,.07,;1.83,1.61,;3.16,2.38,;.36,2.09,;-.41,3.42,;-.54,.84,;-5.1,-.11,;-6.43,-.88,;-7.77,-.11,;-7.77,1.43,;-6.43,2.2,;-5.1,1.43,;2.6,-.88,;3.7,-2.02,)|

Structure