Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
Install
The skill file stays in the publisher's repository.
Paste the copied command in a terminal. It installs this SKILL.md into that agent.
npx skills add foryourhealth111-pixel/Vibe-Skills --skill chembl-database -a cursor -y
Download bundled/skills/chembl-database/SKILL.md from the publisher, or copy the path and open the repository. PlugMCP lists the skill and does not host the file.
Where does chembl-database live?
The publisher keeps it at https://github.com/foryourhealth111-pixel/Vibe-Skills.
Which agents can use chembl-database?
Claude, Cursor, and Codex can read a SKILL.md you add from the publisher's repository.
Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
name: chembl-database
description: Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
license: Unknown
metadata:
skill-author: K-Dense Inc.
ChEMBL Database
Overview
ChEMBL is a manually curated database of bioactive molecules maintained by the European Bioinformatics Institute (EBI), containing over 2 million compounds, 19 million bioactivity measurements, 13,000+ drug targets, and data on approved drugs and clinical candidates. 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
Queries execute only when data is accessed. Convert to list to force execution:
# Query is not executed yet
results = molecule.filter(pref_name__icontains='aspirin')
# Force execution
results_list = list(results)
Pagination
Results are paginated automatically. Iterate through all results:
for activity in new_client.activity.filter(target_chembl_id='CHEMBL203'):
# Process each activity
print(activity['molecule_chembl_id'])
Common Use Cases
Find Kinase Inhibitors
# Identify kinase targets
kinases = new_client.target.filter(
target_type='SINGLE PROTEIN',
pref_name__icontains='kinase'
)
# Get potent inhibitors
for kinase in kinases[:5]: # First 5 kinases
activities = new_client.activity.filter(
target_chembl_id=kinase['target_chembl_id'],
standard_type='IC50',
standard_value__lte=50
)
Explore Drug Repurposing
# Get approved drugs
drugs = new_client.drug.filter()
# For each drug, find all targets
for drug in drugs[:10]:
mechanisms = new_client.mechanism.filter(
molecule_chembl_id=drug['molecule_chembl_id']
)
Download bundled/skills/chembl-database/SKILL.md from the publisher, or copy the path and open the repository. PlugMCP lists the skill and does not host the file.
Where does chembl-database live?
The publisher keeps it at https://github.com/foryourhealth111-pixel/Vibe-Skills.
Which agents can use chembl-database?
Claude, Cursor, and Codex can read a SKILL.md you add from the publisher's repository.