Ki Summary

Reaction Details

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Target

Beta-secretase 1 [1-454]

Ligand

BDBM195494

Substrate/Competitor

n/a

Meas. Tech.

Fluorescence Quench Assay

4.4±n/a

IC50

107±n/a nM

Comments

extracted

Citation

Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Inhibitors of beta-secretase US Patent US9526727 Publication Date 12/27/2016

More Info.:

Get all data from this article, Assay Method

Beta-secretase 1 [1-454]

Name:

Beta-secretase 1 [1-454]

Synonyms:

BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE1) | KIAA1149

Type:

Protein

Mol. Mass.:

50294.92

Organism:

Homo sapiens (Human)

Description:

Human BACE1 truncation (1-454 aa)

Residue:

454

Sequence:

MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST

BDBM195494

n/a

Name

BDBM195494

Synonyms:

US9212153, 158,Ex. 121 | US9526727, Comparison Example Table 2, 2''-amino-4-methoxy-5''-oxo-1''-(propan-2-yl)-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-6'-carbonitrile

Type

Small organic molecule

Emp. Form.

C21H26N4O2

Mol. Mass.

366.4567

SMILES

COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C#N)CC1 |t:16,(4.25,-6.47,;2.92,-7.24,;1.59,-6.47,;.5,-7.56,;-.84,-6.8,;-2.38,-6.8,;-3.29,-8.04,;-4.75,-7.57,;-6.08,-8.34,;-7.42,-7.57,;-7.42,-6.03,;-6.08,-5.26,;-4.75,-6.03,;-3.29,-5.55,;-4.19,-4.3,;-3.29,-3.06,;-4.06,-1.72,;-1.82,-3.53,;-.73,-2.45,;.75,-2.84,;-1.13,-.96,;-1.82,-5.07,;-.33,-5.47,;-8.75,-5.26,;-10.09,-6.03,;-1.29,-5.71,;.05,-6.47,)|

Structure