Chembl Database

🌐Community
by jimmc414 · vlatest · Repository

Access and query ChEMBL's vast chemical and biological data for compound properties, bioactivity, and targets.

Install on your platform

We auto-selected Claude Code based on this skill’s supported platforms.

1

Run in terminal (recommended)

terminal
claude mcp add jimmc414-chembl-database npx -- -y @trustedskills/jimmc414-chembl-database
2

Or manually add to ~/.claude/settings.json

~/.claude/settings.json
{
  "mcpServers": {
    "jimmc414-chembl-database": {
      "command": "npx",
      "args": [
        "-y",
        "@trustedskills/jimmc414-chembl-database"
      ]
    }
  }
}

Requires Claude Code (claude CLI). Run claude --version to verify your install.

About This Skill

What it does

This skill provides access to and querying capabilities of the ChEMBL database. ChEMBL is a curated, open-source database of bioactive molecules with drug-like properties. It contains data on compounds, targets, assays, and associated activities, enabling researchers to explore chemical space and identify potential therapeutic candidates.

When to use it

  • Drug Discovery Research: Identify compounds that inhibit or activate specific biological targets.
  • Chemical Informatics Analysis: Analyze trends in compound activity across different assay types.
  • Target Validation: Find existing data on a target of interest, including known inhibitors and assays.
  • Bioactivity Prediction: Use the database as a reference for predicting the bioactivity of novel compounds.

Key capabilities

  • Access to ChEMBL compound data
  • Querying by chemical structure or name
  • Retrieval of assay results for specific targets
  • Data filtering based on activity values

Example prompts

  • "Find all compounds that inhibit protein kinase CK2 with an IC50 less than 10 micromolar."
  • "What are the known assays for target EGFR?"
  • "Give me a list of compounds similar to aspirin."

Tips & gotchas

The ChEMBL database is very large. Be specific in your queries to avoid overwhelming results and ensure efficient data retrieval.

Tags

🛡️

TrustedSkills Verification

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Details

Version
vlatest
License
Author
jimmc414
Installs
7

🌐 Community

Passed automated security scans.