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Results 1 - 10 of 34 > >>
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EC Number Inhibitors Commentary Structure
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62more cathepsin L inhibitors with activity against the liver fluke identified from a focus library of quinoxaline 1,4-di-N-oxide derivatives, library screening, overview. Analysis of me-ligand interactions in silico by molecular docking and molecular dynamic (MD) simulations. The compounds readily kill newly excysted juveniles of Fasciola hepaticaa in vitro and have low cytotoxicityin a Hep-G2 cell line and bovine spermatozoa. No inhibition by quinoxaline-2-carbaldehyde 1,4-dioxide, 3-aminoquinoxaline-2-carbonitrile 1,4-dioxide, 3-amino-6,7-dichloroquinoxaline-2-carbonitrile 1,4-dioxide, and 3-methyl-N-phenyl-7-[(E)-[2-(prop-2-en-1-ylcarbamothioyl)hydrazinylidene]methyl]quinoxaline-2-carboxamide 1,4-dioxide Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62more virtual inhibitor screening is carried out by docking inhibitors obtained from the MYBRIDGE-HitFinder database to FhCL3 and human cathepsin L substrate-binding sites. On the basis of dock-scores, five compounds are predicted as selective inhibitors of FhCL3, molecular dynamic simulations. The active site-binding compounds prevent substrate processing by competitive inhibition. Structure-based drug design strategy, overview. Calculation of inhibition kinetics and thermodynamics Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62E-64 - Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62cathepsin K inhibitor II i.e. Z-LNHNHCONHNHLF-Boc Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62Z-Phe-Ala-CHN2 - Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62(2E)-2-[(2,3-dimethyl-1,4-dioxidoquinoxalin-6-yl)methylidene]-N-(2-phenylethyl)hydrazinecarboxamide 32% inhibiton at 0.01 mM Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62(2E)-2-[(2-amino-3-cyano-1,4-dioxidoquinoxalin-6-yl)methylidene]-N-(2-phenylethyl)hydrazinecarboxamide 61% inhibiton at 0.01 mM Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62(2E)-2-[(2-amino-3-cyano-1,4-dioxidoquinoxalin-6-yl)methylidene]-N-(prop-2-en-1-yl)hydrazinecarbothioamide 39% inhibiton at 0.01 mM Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62(2E)-2-[(2-amino-3-cyano-1,4-dioxidoquinoxalin-6-yl)methylidene]-N-butylhydrazinecarboxamide 27% inhibiton at 0.01 mM Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 3.4.22.B62(2Z)-2-[(2E)-[(2,3-dimethyl-1,4-dioxidoquinoxalin-6-yl)methylidene]hydrazinylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one 22% inhibiton at 0.01 mM Go to the Ligand Summary Page
Results 1 - 10 of 34 > >>
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