Ki Summary

Reaction Details

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Target

Beta-secretase 1 [1-458]

Ligand

BDBM195129

Substrate/Competitor

n/a

Meas. Tech.

BACE Enzyme Assay (Ex.434)

4.5±n/a

Temperature

298.15±n/a K

IC50

2.9±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

BDBM195129

n/a

Name

BDBM195129

Synonyms:

US10336717, Compound 189 | US9212153, 189,Ex. 150

Type

Small organic molecule

Emp. Form.

C23H25FN4O2

Mol. Mass.

408.4686

SMILES

COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccnc2F)CC1 |t:16,(9.99,-7.28,;8.5,-7.68,;7.41,-6.59,;6.08,-7.36,;4.99,-6.27,;3.49,-5.9,;3.02,-7.37,;1.48,-7.37,;.45,-8.51,;-1.06,-8.19,;-1.54,-6.73,;-.51,-5.58,;1,-5.9,;2.25,-5,;1,-4.09,;1.48,-2.63,;.71,-1.29,;3.02,-2.63,;3.79,-1.29,;3.49,-4.09,;5.03,-4.09,;-2.87,-5.96,;-4.2,-6.73,;-5.54,-5.96,;-5.54,-4.42,;-4.2,-3.65,;-2.87,-4.42,;-1.54,-3.65,;4.83,-5.13,;5.92,-6.27,)|

Structure