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Literature summary for 3.4.21.91 extracted from

  • Sidique, S.; Shiryaev, S.A.; Ratnikov, B.I.; Herath, A.; Su, Y.; Strongin, A.Y.; Cosford, N.D.
    Structure-activity relationship and improved hydrolytic stability of pyrazole derivatives that are allosteric inhibitors of West Nile Virus NS2B-NS3 proteinase (2009), Bioorg. Med. Chem. Lett., 19, 5773-5777.
    View publication on PubMedView publication on EuropePMC

Inhibitors

Inhibitors Comment Organism Structure
1-(2,6-difluorophenyl)-2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]ethanol
-
West Nile virus
1-(2,6-difluorophenyl)-2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]ethanone
-
West Nile virus
1-(2-fluorophenyl)-2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]ethanone
-
West Nile virus
1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl 2,6-difluoro-3-methylbenzoate
-
West Nile virus
1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl 2,6-difluorobenzoate
-
West Nile virus
1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl benzoate
-
West Nile virus
1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluoro-3-methylbenzoate
-
West Nile virus
1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluorobenzoate
-
West Nile virus
2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]-1-phenylethanol
-
West Nile virus
2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]-1-phenylethanone
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,3,4-trifluorobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,3,5,6-tetrafluoro-4-methylbenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,3,6-trifluorobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,4,5-trifluorobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,4,6-trifluorobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,4-difluorobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,5-difluorobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,6-dichlorobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,6-difluoro-3-methylbenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,6-difluorobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2-ethoxybenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2-fluoro-3-(trifluoromethyl)benzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2-methylbenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2-nitrobenzoate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 3-chlorothiophene-2-carboxylate
-
West Nile virus
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl thiophene-3-carboxylate
-
West Nile virus
5-[(E)-2-(2,6-difluorophenyl)ethenyl]-1-(4-methoxybenzyl)-3-methyl-1H-pyrazole
-
West Nile virus
SID-3717586
-
West Nile virus
SID-4245669
-
West Nile virus
SID-852843
-
West Nile virus

Organism

Organism UniProt Comment Textmining
West Nile virus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
pyroglutamic acid-L-Arg-L-Thr-L-Lys-L-Arg-7-amido-4-methylcoumarin + H2O
-
West Nile virus pyroglutamic acid-L-Arg-L-Thr-L-Lys-L-Arg + 7-amino-4-methylcoumarin
-
?

Synonyms

Synonyms Comment Organism
NS2B-NS3 protease
-
West Nile virus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000105
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus SID-852843
0.00011
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus SID-4245669
0.00031
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,6-difluorobenzoate
0.00097
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,3,6-trifluorobenzoate
0.00122
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 3-chlorothiophene-2-carboxylate
0.001353
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus SID-3717586
0.00183
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,4,6-trifluorobenzoate
0.00196
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,4-difluorobenzoate
0.00355
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2-methylbenzoate
0.00403
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl benzoate
0.00428
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,6-difluoro-3-methylbenzoate
0.0049
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,5-difluorobenzoate
0.005
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl thiophene-3-carboxylate
0.00804
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluorobenzoate
0.00871
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl 2,6-difluorobenzoate
0.00926
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl 2,6-difluoro-3-methylbenzoate
0.00943
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 1-benzyl-3-methyl-1H-pyrazol-5-yl 2,6-difluoro-3-methylbenzoate
0.01069
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,3,5,6-tetrafluoro-4-methylbenzoate
0.01192
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,3,4-trifluorobenzoate
0.0138
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-[(E)-2-(2,6-difluorophenyl)ethenyl]-1-(4-methoxybenzyl)-3-methyl-1H-pyrazole
0.0239
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 1-(2,6-difluorophenyl)-2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]ethanone
0.02618
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,4,5-trifluorobenzoate
0.0388
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 1-(2-fluorophenyl)-2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]ethanone
0.04549
-
in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2-fluoro-3-(trifluoromethyl)benzoate
0.1
-
IC50 above 0.1 mM, in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2,6-dichlorobenzoate
0.1
-
IC50 above 0.1 mM, in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2-nitrobenzoate
0.1
-
IC50 above 0.1 mM, in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 2-ethoxybenzoate
0.1
-
IC50 above 0.1 mM, in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 1-(2,6-difluorophenyl)-2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]ethanol
0.1
-
IC50 above 0.1 mM, in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]-1-phenylethanol
0.1
-
IC50 above 0.1 mM, in 10 mM Tris-HCl buffer, pH 8.0, containing 20% (v/v) glycerol and 0.005% Brij 35 West Nile virus 2-[1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl]-1-phenylethanone