Journal of Medicinal Chemistry · 2009 · 43 citations · 17 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryLead OptimizationHit-to-lead OptimizationLead Compound DesignLead DiscoveryLigand BindingLigand-based DesignPotency OptimizationKinase Inhibitor Library DesignLead Quality AssessmentLead ScaffoldsMolecular Docking Of InhibitorsPhysicochemical PropertiesStructure-based Lead DiscoveryStructure-based Ligand DesignStructure-guided Lead Discovery
A novel class of 4-pyridinoxy-2-anilinopyridine-based TGF-beta type I receptor (also known as activin-like kinase 5 or ALK5) inhibitors is reported. The binding mode of this scaffold was successfully predicted by analyzing possible docked binding modes of literature inhibitors and novel synthetic ideas. Compounds such as 19 are potent ALK5 inhibitors with good physicochemical and pharmacokinetic properties and thus represent high quality leads for further optimization.
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The selectivity of protein kinase inhibitors: a further update
Jenny Bain, Lorna Plater, Matt Elliott et al. · Biochemical Journal · 2007 · 2.5K citations · Full text