Ki Summary

Reaction Details

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Target

Beta-secretase 1 [1-458]

Ligand

BDBM195099

Substrate/Competitor

n/a

Meas. Tech.

BACE Enzyme Assay (Ex.434)

4.5±n/a

Temperature

298.15±n/a K

IC50

3±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 US9212153 Publication Date 12/15/2015

More Info.:

Get all data from this article, Assay Method

Beta-secretase 1 [1-458]

Name:

Beta-secretase 1 [1-458]

Synonyms:

BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (aa 1-458) | KIAA1149

Type:

n/a

Mol. Mass.:

50753.53

Organism:

Homo sapiens (Human)

Description:

Truncation 1-458 aa with His-tag at C-terminus

Residue:

458

Sequence:

MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTI

BDBM195099

n/a

Name

BDBM195099

Synonyms:

US9212153, 150 & 151,Ex. 114

Type

Small organic molecule

Emp. Form.

C22H25N3O2

Mol. Mass.

363.4528

SMILES

CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(O)CC1)C#CC1CC1 |c:3,(3.56,3.24,;2.79,1.91,;1.25,1.91,;.48,3.24,;.77,.45,;2.02,-.46,;3.26,.45,;4.59,-.32,;.55,-.93,;-.78,-.16,;-2.12,-.93,;-2.12,-2.47,;-.78,-3.24,;.55,-2.47,;2.02,-2.95,;2.92,-1.7,;4.46,-1.7,;5.8,-2.47,;6.89,-1.38,;7.66,-.04,;5.35,-1.38,;4.01,-.62,;-3.45,-.16,;-4.78,.61,;-6.12,1.38,;-6.89,2.71,;-7.66,1.38,)|

Structure