Our activities include Drug Discovery and Design, Bioinformatics, Chemoinformatics, Structural Biology, Pharmacogenomics, Open Data, The Semantic Web, and Data Integration.
ChEMBL: Bioactive data for drug discovery
ChEMBL, a database of bioactive compounds, provides curated bioactivity data quantitatively linking compounds to molecular targets, phenotypic effects, exposure and toxicity end-points. ChEMBL focuses on interactions relevant to medicinal chemistry, clinical development and therapeutics data. Pharmaceutically important gene families in ChEMBL can be viewed in the GPCR and Kinase SARfari web portals.
ChEMBL Malaria and ChEMBL-NTD
DrugEBIlity is a tool in ChEMBL for drug target prioritisation.
Kinase SARfari: Integrated Kinase biactivity, sequence and structure data
Kinase SARfari provides integrated kinase bioactivty data linking bioactivities to sequence alignment, binding site and 3-D structure data.