ChEMBL and SureChEMBL: Bioactive molecules, targets, and patent resources

This module will show scientists how to use the medicinal chemistry literature (ChEMBL) and patent (SureChEMBL) data resources to identify bioactive molecules of relevance to their research. The resources can be searched to identify bioactivity data on small molecules and investigate their interaction with biological targets and effects in phenotypic assays.

The module is suitable for both academic and industrial researchers interested in drug discovery, toxicology, agrochemicals, patents, targets of small molecules and related fields. No programming background is required, however an undergraduate level knowledge of biology and chemistry would be an advantage.

Learning outcomes

• Identify small molecules that interact with biological systems with applications in drug discovery, agrochemicals and predictive toxicology
• Extract bioactivity data and identify relevant compounds and their biological targets from literature and patent sources

Resource covered

• ChEMBL: Bioactive data for drug discovery 
• SureChEMBL