Literature summary for 2.4.2.4 extracted from

McNally, V.A.; Gbaj, A.; Douglas, K.T.; Stratford, I.J.; Jaffar, M.; Freeman, S.; Bryce, R.A.
Identification of a novel class of inhibitor of human and Escherichia coli thymidine phosphorylase by in silico screening (2003), Bioorg. Med. Chem. Lett., 13, 3705-3709.

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Inhibitors

Inhibitors	Comment	Organism	Structure
NSC 122612	0.12 mM, 27% inhibition	Escherichia coli
NSC 19791	0.89 mM, 14% inhibition	Escherichia coli
NSC 23145	0.105 mM, 23% inhibition	Escherichia coli
NSC 298251	0.1 mM, 30% inhibition	Escherichia coli
NSC 3056	0.089 mM, 24% inhibition	Escherichia coli
NSC 309091	0.13 mM, 21% inhibition	Escherichia coli
NSC 357688	0.09 mM, 28% inhibition	Escherichia coli
NSC 43275	0.106 mM, 16% inhibition	Escherichia coli
NSC 6487	0.089 mM, 6% inhibition	Escherichia coli
NSC 65043	0.093 mM, 84% inhibition, linear competitive	Escherichia coli
NSC 65043	IC50: 0.077 mM	Homo sapiens
NSC 659977	0.134 mM, 60% inhibition	Escherichia coli
NSC 81031	0.93 mM, 15% inhibition	Escherichia coli

Organism

Organism	UniProt	Comment	Textmining
Escherichia coli	-	-	-
Homo sapiens	-	recombinant enzyme	-

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
2	5	NSC 65043	-	Homo sapiens
12.5	-	NSC 65043	-	Escherichia coli

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.077	-	IC50: 0.077 mM	Homo sapiens	NSC 65043

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Release 2023.1 (January 2023)