Literature summary for 3.4.21.27 extracted from

Lazarova, T.I.; Jin, L.; Rynkiewicz, M.; Gorga, J.C.; Bibbins, F.; Meyers, H.V.; Babine, R.; Strickler, J.
Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa (2006), Bioorg. Med. Chem. Lett., 16, 5022-5027.

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Inhibitors

Inhibitors	Comment	Organism	Structure
1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]guanidine	-	Homo sapiens
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]guanidine	-	Homo sapiens
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]guanidine	-	Homo sapiens
2-carbamimidamido-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl pyridine-3-carboxylate	-	Homo sapiens
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline	-	Homo sapiens
benzamidine	-	Homo sapiens
boronic acid	-	Homo sapiens
[4-(carbamimidamidomethyl)phenyl]boronic acid	-	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
factor IX + H2O	Homo sapiens	-	activated factor IX + ?	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
factor IX + H2O	-	Homo sapiens	activated factor IX + ?	-	?

Synonyms

Synonyms	Comment	Organism
factor XIa	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0014	-	-	Homo sapiens	2-carbamimidamido-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl pyridine-3-carboxylate
0.0059	-	-	Homo sapiens	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]guanidine
0.0073	-	-	Homo sapiens	1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]guanidine
0.022	-	-	Homo sapiens	[4-(carbamimidamidomethyl)phenyl]boronic acid
0.0257	-	-	Homo sapiens	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]guanidine
0.0773	-	-	Homo sapiens	benzamidine
0.12	-	-	Homo sapiens	boronic acid

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Release 2023.1 (January 2023)