ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI)

By W. Warr. 2009

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The ChEMBL database as linked open data (2013, background): “This provides a unique resource for drug researchers [5,6].”
Gaussian interaction profile kernels for predicting drug-target interaction (2011, background): “We have looked up these predicted interactions in ChEMBL (Overington, 2009) (version 9), DrugBank (Wishart et al., 2008) and the latest online version of KEGG DRUG (Kanehisa et al., 2006).”
Using Multiple Microenvironments to Find Similar Ligand-Binding Sites: Application to Kinase Inhibitor Binding (2011, methodology): “It is a collection of assays from a variety of experimental studies and therefore the standards applied to Ambit Panel are not applicable to CHEMBL data.”
Can we really do computer-aided drug design? (2011, background): “In addition, with the increased availability of large public domain databases, such as PubChem [17] and ChEMBL [18], more data is available than ever before (although a greater quantity of high quality data is always welcome).”
Computational Approaches in Preclinical Studies on Drug Discovery and Development (2020, methodology): “It is composed of three diﬀerent datasets that were originally developed by Inpharmatica, including StARlite, CandiStore, and DrugStore (Overington, 2009).”