Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase

J Med Chem. 2010 Jan 28;53(2):759-77. doi: 10.1021/jm9014263.

Abstract

A highly selective series of bisbenzamide inhibitors of Rho-associated coiled-coil forming protein kinase (ROCK) and a related ureidobenzamide series, both identified by high throughput screening (HTS), are described. Details of the hit validation and lead generation process, including structure-activity relationship (SAR) studies, a selectivity assessment, target-independent profiling (TIP) results, and an analysis of functional activity using a rat aortic ring assay are discussed.

MeSH terms

  • Animals
  • Aorta / enzymology
  • Bisbenzimidazole / chemistry*
  • Bisbenzimidazole / pharmacology
  • Drug Discovery
  • Drug Evaluation, Preclinical / methods
  • Inhibitory Concentration 50
  • Protein Kinase Inhibitors / chemistry*
  • Protein Kinase Inhibitors / pharmacology
  • Rats
  • Structure-Activity Relationship
  • Urea / chemistry
  • rho-Associated Kinases / antagonists & inhibitors*

Substances

  • Protein Kinase Inhibitors
  • Urea
  • rho-Associated Kinases
  • Bisbenzimidazole