Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary extracted from

  • Do, H.T.; Zhang, N.; Pati, D.; Gilbertson, S.R.
    Synthesis and activity of benzimidazole-1,3-dioxide inhibitors of separase (2016), Bioorg. Med. Chem. Lett., 26, 4446-4450 .
    View publication on PubMed

Application

EC Number Application Comment Organism
3.4.22.49 medicine due to the oncogenic activity of cohesin protease, separase in human cancer cells, modulation of separase enzymatic activity could constitute a new therapeutic strategy for targeting resistant, separase-overexpressing aneuploid tumors Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.4.22.49 1,3-dihydroxy-2,2-dimethyl-5-(trifluoromethyl)-2H-benzimidazole-1,3-diium 0.1 mM, 8.0% inhibition Homo sapiens
3.4.22.49 1,3-dihydroxy-2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-diium 0.1 mM, 95.9% inhibition Homo sapiens
3.4.22.49 1,3-dihydroxy-2,2-dimethyl-5-[(trifluoromethoxy)sulfinyl]-2H-benzimidazole-1,3-diium 0.1 mM, 64.6% inhibition Homo sapiens
3.4.22.49 1,3-dihydroxy-5-nitrospiro[benzimidazole-1,3-diium-2,1'-cyclohexane] 0.1 mM, 99.5% inhibition Homo sapiens
3.4.22.49 1,3-dihydroxy-5-nitrospiro[benzimidazole-1,3-diium-2,1'-cyclopentane] 0.1 mM, 96.2% inhibition Homo sapiens
3.4.22.49 1,3-dihydroxy-5-[hydroxy(methoxy)methyl]-2,2-dimethyl-2H-benzimidazole-1,3-diium 0.1 mM, 14.6% inhibition Homo sapiens
3.4.22.49 2-(4-carboxyphenyl)-1,3-dihydroxy-2-methyl-5-nitro-2H-benzimidazole-1,3-diium 0.1 mM, 84.1% inhibition Homo sapiens
3.4.22.49 2-butyl-1,3-dihydroxy-2-methyl-5-nitro-2H-benzimidazole-1,3-diium 0.1 mM, 99.8% inhibition Homo sapiens
3.4.22.49 2-ethyl-1,3-dihydroxy-2-methyl-5-nitro-2H-benzimidazole-1,3-diium 0.1 mM, 99.6% inhibition Homo sapiens
3.4.22.49 2-ethyl-1,3-dihydroxy-5-nitro-2-propyl-2H-benzimidazole-1,3-diium 0.1 mM, 99.2% inhibition Homo sapiens
3.4.22.49 4-bromo-1,3-dihydroxy-2,2-dimethyl-6-nitro-2H-benzimidazole-1,3-diium 0.1 mM, 100% inhibition Homo sapiens
3.4.22.49 5-(butylamino)-1,3-dihydroxy-2,2-dimethyl-2H-benzimidazole-1,3-diium 0.1 mM, 40.9% inhibition Homo sapiens
3.4.22.49 5-bromo-1,3-dihydroxy-2,2-dimethyl-2H-benzimidazole-1,3-diium 0.1 mM, 24.6% inhibition Homo sapiens
3.4.22.49 5-carboxy-1,3-dihydroxy-2,2-dimethyl-2H-benzimidazole-1,3-diium 0.1 mM, 24.4% inhibition Homo sapiens
3.4.22.49 5-ethoxy-1,3-dihydroxy-2,2-dimethyl-2H-benzimidazole-1,3-diium 0.1 mM, 21.2% inhibition Homo sapiens
3.4.22.49 5-ethoxy-6-fluoro-1,3-dihydroxy-2,2-dimethyl-2H-benzimidazole-1,3-diium 0.1 mM, 25.2% inhibition Homo sapiens
3.4.22.49 5-fluoro-1,3-dihydroxy-2,2-dimethyl-2H-benzimidazole-1,3-diium 0.1 mM, 35.4% inhibition Homo sapiens
3.4.22.49 5-fluoro-1,3-dihydroxy-2,2-dimethyl-6-nitro-2H-benzimidazole-1,3-diium 0.1 mM, 60.1% inhibition Homo sapiens
3.4.22.49 5-hexyl-1,3-dihydroxy-2,2-dimethyl-2H-benzimidazole-1,3-diium 0.1 mM, 39.3% inhibition Homo sapiens
3.4.22.49 5-nitro-2,1,3-benzoxadiazole 0.1 mM, 43.1% inhibition Homo sapiens

Organism

EC Number Organism UniProt Comment Textmining
3.4.22.49 Homo sapiens Q14674
-
-

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.4.22.49 0.0121
-
 pH and temperature not specified in the publication Homo sapiens 4-bromo-1,3-dihydroxy-2,2-dimethyl-6-nitro-2H-benzimidazole-1,3-diium
3.4.22.49 0.0127
-
 pH and temperature not specified in the publication Homo sapiens 2-ethyl-1,3-dihydroxy-2-methyl-5-nitro-2H-benzimidazole-1,3-diium
3.4.22.49 0.0141
-
 pH and temperature not specified in the publication Homo sapiens 2-ethyl-1,3-dihydroxy-5-nitro-2-propyl-2H-benzimidazole-1,3-diium
3.4.22.49 0.0146
-
 pH and temperature not specified in the publication Homo sapiens 2-butyl-1,3-dihydroxy-2-methyl-5-nitro-2H-benzimidazole-1,3-diium
3.4.22.49 0.0162
-
 pH and temperature not specified in the publication Homo sapiens 1,3-dihydroxy-5-nitrospiro[benzimidazole-1,3-diium-2,1'-cyclohexane]
3.4.22.49 0.0171
-
 pH and temperature not specified in the publication Homo sapiens 1,3-dihydroxy-5-nitrospiro[benzimidazole-1,3-diium-2,1'-cyclopentane]
3.4.22.49 0.0178
-
 pH and temperature not specified in the publication Homo sapiens 1,3-dihydroxy-2,2-dimethyl-5-nitro-2H-benzimidazole-1,3-diium
3.4.22.49 0.0292
-
 pH and temperature not specified in the publication Homo sapiens 2-(4-carboxyphenyl)-1,3-dihydroxy-2-methyl-5-nitro-2H-benzimidazole-1,3-diium
3.4.22.49 0.0501
-
 pH and temperature not specified in the publication Homo sapiens 1,3-dihydroxy-2,2-dimethyl-5-[(trifluoromethoxy)sulfinyl]-2H-benzimidazole-1,3-diium
3.4.22.49 0.0872
-
 pH and temperature not specified in the publication Homo sapiens 5-fluoro-1,3-dihydroxy-2,2-dimethyl-6-nitro-2H-benzimidazole-1,3-diium