Chembl Database
ListedAccess and query ChEMBL's vast chemical and bioactivity data to find compounds, targets, and experimental results.
Install on your platform
Showing Claude Code. One command installs this skill into any of the agents below.
- 1
Run this in your project
terminal$ npx skills add davila7/claude-code-templates --skill chembl-database -a claude-code Uses the open-source
skillsCLI and needs Node.js. Add-gto install it for your user instead of this project.
What we know about this skill
Publisher
davila7
Taken from the source listing. We haven't verified who controls this account.
Install target
Live repository
Not pinned. Installing fetches whatever the repository holds at the time you run the command.
Automated safety checks
We could not read this skill's source, so none of the checks below were run.
About this skill
The ChemBL database skill allows AI agents to query and retrieve structured chemical data, including compound properties, bioactivity results, and target information from a public repository. It enables automated discovery of drug-like molecules and their interactions with specific biological targets.
When to use it
- Analyzing the bioactivity profiles of known compounds against specific protein targets.
- Searching for novel chemical structures that match defined molecular property filters.
- Extracting standardized data on substance sources, synonyms, and canonical SMILES strings.
- Investigating relationships between chemicals and their associated diseases or pathways.
Key capabilities
- Querying the ChemBL database via SQL-like syntax or natural language requests.
- Retrieving detailed compound metadata including molecular weight, logP, and solubility.
- Accessing bioactivity data points such as IC50, Ki, and EC50 values from literature.
- Fetching target information including protein names, IDs, and organism sources.
Example prompts
- "Find all small molecules in the database that inhibit the EGFR kinase with an IC50 lower than 10 nM."
- "List the top 10 most studied compounds targeting the BRCA1 gene along with their primary data source."
- "Retrieve the canonical SMILES and InChIKey for aspirin and summarize its known adverse effects."
Tips & gotchas
Ensure your AI agent has internet access to reach the live ChemBL API, as this skill relies on external data retrieval. Results may vary based on the current version of the database; cite specific query parameters if reproducibility is critical for research validation.