title: Gini coefficient: a new way to express selectivity of kinase inhibitors against a family of kinases.
abstract: A novel application of the Gini coefficient for expressing selectivity of kinase inhibitors against a panel of kinases is proposed. This has been illustrated using single-point inhibition data for 40 commercially available kinase inhibitors screened against 85 kinases. Nonselective inhibitors are characterized by Gini values close to zero (Staurosporine, Gini 0.150). Highly selective compounds exhibit Gini values close to 1 (PD184352 Gini 0.905). The relative selectivity of inhibitors does not depend on the ATP concentration.
authors.affiliation: Eisai London Research Laboratories Ltd., Medicinal Chemistry Department, University College London, Bernard Katz Building, Gower Street, London WC1E 6BT, United Kingdom. piotr_graczyk@eisai.net
authors.forename: Piotr P
authors.initials: PP
authors.lastname: Graczyk
mesh_terms: D000255:Adenosine Triphosphate / Q000737:chemistry; D004791:Enzyme Inhibitors / Q000737:chemistry*; D010770:Phosphotransferases / Q000037:antagonists & inhibitors* / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D004791:Enzyme Inhibitors; D000255:Adenosine Triphosphate; D010770:Phosphotransferases