Chembl Drug
Query the ChEMBL REST API for drug-target interactions, bioactivity data, ADMET...
Install
npx skills add beita6969/ScienceClaw --skill chembl-drug -g -a claude-code -y- Repository
- beita6969/ScienceClaw1k
- Category
- Media
- Updated
- 5d ago
- License
- MIT
- Context cost
- Lightabout 1,232 tokens
- Runs scripts
- No, instructions only
What it does
Query the ChEMBL REST API for drug-target interactions, bioactivity data, ADMET properties, and approved drug information. Use when the user needs drug mechanism of action, binding affinity data, target information, or pharmacokinetic properties. NOT for basic compound lookup (use pubchem-compound), NOT for gene-disease associations (use open-targets), NOT for protein 3D structures (use pdb-structure).
ChEMBL Drug & Bioactivity Lookup
Query the ChEMBL REST API to access curated drug-target interaction data, bioactivity measurements, drug mechanisms of action, and ADMET properties from the European Bioinformatics Institute.
API Base URL
https://www.ebi.ac.uk/chembl/api/data
All endpoints accept .json suffix and return JSON by default. Use format=json as a query parameter alternatively.
API Endpoints
Molecule Lookup
Retrieve molecule details by ChEMBL ID or search by name:
# Get molecule by ChEMBL ID
curl -s "https://www.ebi.ac.uk/chembl/api/data/molecule/CHEMBL25.json" | head -80
# Search molecules by name
curl -s "https://www.ebi.ac.uk/chembl/api/data/molecule/search.json?q=imatinib" | head -80
# Get molecule by canonical SMILES
curl -s "https://www.ebi.ac.uk/chembl/api/data/molecule.json?molecule_structures__canonical_smiles=CC(=O)Oc1ccccc1C(=O)O" | head -60
Target Lookup
Retrieve drug target information:
# Get target by ChEMBL ID
curl -s "https://www.ebi.ac.uk/chembl/api/data/target/CHEMBL2034.json" | head -60
# Search targets by gene name
curl -s "https://www.ebi.ac.uk/chembl/api/data/target/search.json?q=EGFR" | head -80
# Get target by UniProt accession
curl -s "https://www.ebi.ac.uk/chembl/api/data/target.json?target_components__accession=P00533" | head -60
Bioactivity Data
Retrieve binding affinity, IC50, Ki, and other activity measurements:
# Get activities for a molecule (with pagination)
curl -s "https://www.ebi.ac.uk/chembl/api/data/activity.json?molecule_chembl_id=CHEMBL25&limit=20" | head -100
# Get activities for a specific target
curl -s "https://www.ebi.ac.uk/chembl/api/data/activity.json?target_chembl_id=CHEMBL2034&limit=20" | head -100
# Filter by activity type (IC50, Ki, Kd, EC50)
curl -s "https://www.ebi.ac.uk/chembl/api/data/activity.json?molecule_chembl_id=CHEMBL941&standard_type=IC50&limit=10" | head -80
