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Literature summary extracted from

  • Liu, D.; Tian, Z.; Yan, Z.; Wu, L.; Ma, Y.; Wang, Q.; Liu, W.; Zhou, H.; Yang, C.
    Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors (2013), Bioorg. Med. Chem., 21, 2960-2967.
    View publication on PubMed

Cloned(Commentary)

EC Number Cloned (Comment) Organism
3.4.22.56 expressed in Escherichia coli Transetta (DE3) cells Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.4.22.56 1,2-benzisothiazol-3-one
-
 Homo sapiens
3.4.22.56 2-(2-phenylethyl)-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-(4-methoxybenzyl)-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-(4-methylphenyl)-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-(prop-2-en-1-yl)-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-benzyl-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-ethyl-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-methyl-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-phenyl-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 2-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3(2H)-one
-
 Homo sapiens
3.4.22.56 3-oxo-N-(1-phenylethyl)-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 3-oxo-N-(2-phenylethyl)-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 3-oxo-N-phenyl-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(2-bromophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(2-fluorobenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(2-fluorophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(2-methoxybenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(2-methoxyphenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(2-nitrophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(3-bromophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(3-fluorobenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(3-methoxybenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(3-methoxyphenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(4-bromophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(4-fluorobenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(4-fluorophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(4-iodophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(4-methoxybenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-(4-methoxyphenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-acetyl-DEVD-CHO
-
 Homo sapiens
3.4.22.56 N-benzyl-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-ethyl-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens
3.4.22.56 N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
-
 Homo sapiens

Organism

EC Number Organism UniProt Comment Textmining
3.4.22.56 Homo sapiens
-
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
3.4.22.56 Ni-NTA agarose column chromatography and Resource Q column chromatography Homo sapiens

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.4.22.56 N-acetyl-LDEVD-7-amido-4-methylcoumarin + H2O
-
 Homo sapiens N-acetyl-LDEVD + 7-amino-4-methylcoumarin
-
 ?

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.4.22.56 0.0000002
-
 at pH 7.5 and 22°C Homo sapiens N-acetyl-DEVD-CHO
3.4.22.56 0.000031
-
 at pH 7.5 and 22°C Homo sapiens 3-oxo-N-(2-phenylethyl)-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.00004
-
 at pH 7.5 and 22°C Homo sapiens N-(4-methoxybenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000074
-
 at pH 7.5 and 22°C Homo sapiens N-(3-methoxybenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000076
-
 at pH 7.5 and 22°C Homo sapiens 3-oxo-N-phenyl-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000085
-
 at pH 7.5 and 22°C Homo sapiens 3-oxo-N-(1-phenylethyl)-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000086
-
 at pH 7.5 and 22°C Homo sapiens N-benzyl-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000088
-
 at pH 7.5 and 22°C Homo sapiens N-(2-methoxybenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000115
-
 at pH 7.5 and 22°C Homo sapiens N-(4-fluorobenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000206
-
 at pH 7.5 and 22°C Homo sapiens N-(2-fluorobenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000241
-
 at pH 7.5 and 22°C Homo sapiens N-(3-fluorobenzyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.000438
-
 at pH 7.5 and 22°C Homo sapiens N-(3-fluorophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.0004657
-
 at pH 7.5 and 22°C Homo sapiens 2-(4-methylphenyl)-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.0005328
-
 at pH 7.5 and 22°C Homo sapiens 2-phenyl-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.000593
-
 at pH 7.5 and 22°C Homo sapiens N-(4-fluorophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.001167
-
 at pH 7.5 and 22°C Homo sapiens N-(3-methoxyphenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.003071
-
 at pH 7.5 and 22°C Homo sapiens N-(4-bromophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.004167
-
 at pH 7.5 and 22°C Homo sapiens N-(2-methoxyphenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.008093
-
 at pH 7.5 and 22°C Homo sapiens N-(2-bromophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.009628
-
 at pH 7.5 and 22°C Homo sapiens N-(3-bromophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.009823
-
 at pH 7.5 and 22°C Homo sapiens N-(2-nitrophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.01071
-
 at pH 7.5 and 22°C Homo sapiens N-(4-methoxyphenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.0108
-
 at pH 7.5 and 22°C Homo sapiens 2-benzyl-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.01209
-
 at pH 7.5 and 22°C Homo sapiens 2-(4-methoxybenzyl)-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.01364
-
 at pH 7.5 and 22°C Homo sapiens 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.01627
-
 at pH 7.5 and 22°C Homo sapiens N-(2-fluorophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.01855
-
 at pH 7.5 and 22°C Homo sapiens 2-(2-phenylethyl)-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.02205
-
 at pH 7.5 and 22°C Homo sapiens N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-1,2-benzothiazole-2(3H)-carboxamide
3.4.22.56 0.02272
-
 at pH 7.5 and 22°C Homo sapiens 2-(prop-2-en-1-yl)-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.04239
-
 at pH 7.5 and 22°C Homo sapiens 2-methyl-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.04674
-
 at pH 7.5 and 22°C Homo sapiens 1,2-benzisothiazol-3-one
3.4.22.56 0.09124
-
 at pH 7.5 and 22°C Homo sapiens 2-ethyl-1,2-benzothiazol-3(2H)-one
3.4.22.56 0.1
-
 IC50 above 0.1 mM, at pH 7.5 and 22°C Homo sapiens N-(4-iodophenyl)-3-oxo-1,2-benzothiazole-2(3H)-carboxamide