Ki Summary

Reaction Details

Report a problem with these data

Target

Beta-secretase 1 [1-458]

Ligand

BDBM195501

Substrate/Competitor

n/a

Meas. Tech.

BACE Enzyme Assay (Ex.434)

4.5±n/a

Temperature

298.15±n/a K

IC50

2.2±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

BDBM195501

n/a

Name

BDBM195501

Synonyms:

US9212153, 147,Ex. 111

Type

Small organic molecule

Emp. Form.

C25H31N3O2

Mol. Mass.

405.5325

SMILES

COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2CCCC2)CC1 |t:16,(5.64,-13.28,;4.3,-14.05,;2.97,-13.28,;1.88,-14.37,;.54,-13.61,;-1,-13.61,;-1.9,-14.85,;-3.37,-14.38,;-4.7,-15.15,;-6.03,-14.38,;-6.03,-12.84,;-4.7,-12.07,;-3.37,-12.84,;-1.9,-12.36,;-3.15,-11.45,;-2.67,-9.99,;-3.76,-8.9,;-1.13,-9.99,;-.36,-8.66,;-.66,-11.45,;.68,-12.22,;-7.37,-12.07,;-8.7,-11.3,;-10.03,-10.53,;-9.95,-8.99,;-11.39,-8.44,;-12.36,-9.63,;-11.52,-10.92,;.09,-12.52,;1.43,-13.28,)|

Structure