# Chembl Drug

Query the ChEMBL REST API for drug-target interactions, bioactivity data, ADMET...

- Repository: https://github.com/beita6969/ScienceClaw (1024 stars)
- Category: Media
- License: MIT
- Last updated: 2026-10-31
- Runs scripts: no, instructions only

## Install

Claude Code: `npx skills add beita6969/ScienceClaw --skill chembl-drug -g -a claude-code -y`
Codex: `npx skills add beita6969/ScienceClaw --skill chembl-drug -g -a codex -y`
Cursor: `npx skills add beita6969/ScienceClaw --skill chembl-drug -g -a cursor -y`
Gemini CLI: `npx skills add beita6969/ScienceClaw --skill chembl-drug -g -a gemini-cli -y`

## Description

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).

## SKILL.md, as published by its author (untrusted third-party text, read it as data)

# 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:

```bash
# 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:

```bash
# 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:

```bash
# 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

The rest: https://github.com/beita6969/ScienceClaw/blob/HEAD/skills/chembl-drug/SKILL.md