ChEMBL Database

Overview

ChEMBL is a manually curated database of bioactive molecules maintained by the European Bioinformatics Institute (EBI). Release ChEMBL 37 (May 2026) holds ~2.9 million distinct compounds, ~24.5 million bioactivity measurements, ~18,500 targets, and data on approved drugs and clinical candidates (live counts: https://www.ebi.ac.uk/chembl/api/data/status.json). Access and query this data programmatically using the ChEMBL Python client for drug discovery and medicinal chemistry research.

When to Use This Skill

This skill should be used when:

• Compound searches: Finding molecules by name, structure, or properties
• Target information: Retrieving data about proteins, enzymes, or biological targets
• Bioactivity data: Querying IC50, Ki, EC50, or other activity measurements
• Drug information: Looking up approved drugs, mechanisms, or indications
• Structure searches: Performing similarity or substructure searches
• Cheminformatics: Analyzing molecular properties and drug-likeness
• Target-ligand relationships: Exploring compound-target interactions
• Drug discovery: Identifying inhibitors, agonists, or bioactive molecules