chembl-database - ChEMBL Drug Discovery Data
Query ChEMBL's bioactive molecules and drug discovery data
Tags
Updated: 2026-06-30Typical Inputs
Typical Outputs
What this skill does
- search compounds
- retrieve bioactivity data
- find inhibitors
- retrieve molecule by ID
- search molecules by name
- filter molecules by properties
- retrieve target information
- search target types
- query target activities
- get compound activities
- find similar compounds
- find compounds by substructure
- retrieve drug data
- get drug mechanisms
- query drug indications
Inputs
- ChEMBL ID
- SMILES string
- target ID
- compound name
- molecule properties
- target type
- similarity threshold
- bioactivity type
Outputs
- bioactivity data
- molecule information
- target information
- compound list
- drug information
- drug mechanisms
- drug indications
Requirements
- ChEMBL Python client
- Python environment
- internet connection