Target Validation Information
TTD ID	T73992
Target Name	Beta-secretase (BACE)
Type of Target	Clinical trial
Drug Potency against Target	CTS-21166	Drug Info	IC50 = 0.12~20 nM/L	[12]
	(-)-CATECHINGALLATE	Drug Info	IC50 = 6000 nM	[1]
	(2S)-2'-methoxy kurarinone	Drug Info	IC50 = 6700 nM	[7]
	5,5-Diphenyl-2-iminohydantoin	Drug Info	IC50 = 12000 nM	[10]
	7-Phloroethol	Drug Info	IC50 = 8590 nM	[11]
	AP-2243	Drug Info	IC50 = 238 nM	[6]
	Bis-7-tacrine	Drug Info	IC50 = 7500 nM	[9]
	Carbocyclic Peptidomimetic	Drug Info	IC50 = 16 nM	[3]
	DIECKOL	Drug Info	IC50 = 2210 nM	[11]
	DIOXINODEHYDROECKOL	Drug Info	IC50 = 5350 nM	[11]
	Eckol	Drug Info	IC50 = 12200 nM	[11]
	Glu-Leu-Asp-Leu-(CHOH-CH2)-Ala-Ala-Glu-Phe	Drug Info	Ki = 0.3 nM	[2]
	GRL-7234	Drug Info	IC50 = 39 nM	[4]
	GSK-188909	Drug Info	IC50 = 30 nM	[8]
	KURARINONE	Drug Info	IC50 = 3300 nM	[7]
	KUSHENOL A	Drug Info	IC50 = 2600 nM	[7]
	LEACHIANONE A	Drug Info	IC50 = 8400 nM	[7]
	OM00-3	Drug Info	IC50 = 6 nM	[5]
	PHLOROFUCOFUROECKOL A	Drug Info	IC50 = 2130 nM	[11]
	TRIPHLOROETHOL A	Drug Info	IC50 = 11680 nM	[11]
Action against Disease Model	CTS-21166	Drug Info	CTS-21166 has cellular activity of IC50 = 1.2-3.6 nM, reduced brain A|??levels by over 35% and plaque load by 40%.	[13]
References
REF 1	Green tea catechins as a BACE1 (beta-secretase) inhibitor. Bioorg Med Chem Lett. 2003 Nov 17;13(22):3905-8.
REF 2	Efficient evaluation of binding free energy using continuum electrostatics solvation. J Med Chem. 2004 Nov 4;47(23):5791-7.
REF 3	Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics. J Med Chem. 2005 Aug 11;48(16):5175-90.
REF 4	Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. J Med Chem. 2007 May 17;50(10):2399-407.
REF 5	Synthesis and biological evaluation of phosphino dipeptide isostere inhibitor of human beta-secretase (BACE1). Bioorg Med Chem. 2007 Jun 15;15(12):4136-43.
REF 6	Multi-target-directed coumarin derivatives: hAChE and BACE1 inhibitors as potential anti-Alzheimer compounds. Bioorg Med Chem Lett. 2008 Jan 1;18(1):423-6.
REF 7	BACE1 inhibitory effects of lavandulyl flavanones from Sophora flavescens. Bioorg Med Chem. 2008 Jul 15;16(14):6669-74.
REF 8	Second generation of BACE-1 inhibitors. Part 1: The need for improved pharmacokinetics. Bioorg Med Chem Lett. 2009 Jul 1;19(13):3664-8.
REF 9	Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem. 2009 Sep 10;52(17):5365-79.
REF 10	Discovery of cyclic acylguanidines as highly potent and selective beta-site amyloid cleaving enzyme (BACE) inhibitors: Part I--inhibitor design and... J Med Chem. 2010 Feb 11;53(3):951-65.
REF 11	Molecular docking studies of phlorotannins from Eisenia bicyclis with BACE1 inhibitory activity. Bioorg Med Chem Lett. 2010 Jun 1;20(11):3211-5.
REF 12	beta-Secretase as a therapeutic target for Alzheimer's disease. Neurotherapeutics. 2008 Jul;5(3):399-408.
REF 13	Inhibition of BACE1 for therapeutic use in Alzheimer's disease. Int J Clin Exp Pathol. 2010 Jul 8;3(6):618-28.

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