Target Validation Information
TTD ID	T57943
Target Name	Caspase-3 (CASP3)
Type of Target	Clinical trial
Drug Potency against Target	2-(4-fluoro-benzyl)isoquinoline-1,3,4-trione	Drug Info	IC50 = 630 nM	[2]
	2-(4-methoxy-benzyl)isoquinoline-1,3,4-trione	Drug Info	IC50 = 4630 nM	[2]
	2-allylisoquinoline-1,3,4-trione	Drug Info	IC50 = 261 nM	[2]
	2-benzylisoquinoline-1,3,4-trione	Drug Info	IC50 = 331 nM	[2]
	2-methylisoquinoline-1,3,4-trione	Drug Info	IC50 = 255 nM	[2]
	2-phenethylisoquinoline-1,3,4-trione	Drug Info	IC50 = 544 nM	[2]
	5-(azepan-1-ylsulfonyl)indoline-2,3-dione	Drug Info	IC50 = 1900 nM	[4]
	5-(azetidin-1-ylsulfonyl)indoline-2,3-dione	Drug Info	IC50 = 170 nM	[4]
	5-(piperidin-1-ylsulfonyl)indoline-2,3-dione	Drug Info	IC50 = 2200 nM	[4]
	5-(pyrrolidin-1-ylsulfonyl)indoline-2,3-dione	Drug Info	IC50 = 2800 nM	[4]
	Ac-Asp-Glu-Val-Asp-CHO	Drug Info	Ki = 3.2 nM	[1]
	Ac-DEVD-CHO	Drug Info	IC50 = 1.6 nM	[5]
	Isoquinoline-1,3,4(2H)-trione	Drug Info	IC50 = 149 nM	[2]
	PRALNACASAN	Drug Info	IC50 = 1300 nM	[3]
References
REF 1	Design and synthesis of a potent and selective peptidomimetic inhibitor of caspase-3. J Med Chem. 2004 Dec 16;47(26):6455-8.
REF 2	Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors. J Med Chem. 2006 Mar 9;49(5):1613-23.
REF 3	Synthesis and evaluation of thiazepines as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4728-32.
REF 4	Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach. Bioorg Med Chem. 2009 Aug 15;17(16):6040-7.
REF 5	Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. Eur J Med Chem. 2010 Sep;45(9):3858-63.

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