title: Assessing the target differentiation potential of imidazole-based protein kinase inhibitors.
abstract: A library of 484 imidazole-based candidate inhibitors was tested against 24 protein kinases. The resulting activity data have been systematically analyzed to search for compounds that effectively differentiate between kinases. Six imidazole derivatives with high kinase differentiation potential were identified. Nearest neighbor analysis revealed the presence of close analogues with varying differentiation potential. Small structural modifications of active compounds were found to shift their inhibitory profiles toward kinases with different functions.
authors.affiliation: Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstrasse 2, D-53113 Bonn, Germany.
authors.forename: Dilyana
authors.initials: D
authors.lastname: Dimova
authors.forename: Preeti
authors.initials: P
authors.lastname: Iyer
authors.forename: Martin
authors.initials: M
authors.lastname: Vogt
authors.forename: Frank
authors.initials: F
authors.lastname: Totzke
authors.forename: Michael H G
authors.initials: MH
authors.lastname: Kubbutat
authors.forename: Christoph
authors.initials: C
authors.lastname: Schächtele
authors.forename: Stefan
authors.initials: S
authors.lastname: Laufer
authors.forename: Jürgen
authors.initials: J
authors.lastname: Bajorath
mesh_terms: D057075:Enzyme Assays; D007093:Imidazoles / Q000138:chemical synthesis / Q000737:chemistry*; D009369:Neoplasms / Q000201:enzymology; D047428:Protein Kinase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry*; D011494:Protein Kinases / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: D007093:Imidazoles; D047428:Protein Kinase Inhibitors; D011494:Protein Kinases